Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba₂RE₂Si₄O₁₂F₂ (RE = Er³⁺–Lu³⁺) and Ba₂RE₂Si₄O₁₃ (RE = La³⁺–Ho³⁺)

Structural variations across a series of barium rare earth (RE) tetrasilicates are studied. Two different formulas are observed, namely those of a new cyclo-silicate fluoride, BaRE₂Si₄O₁₂F₂ (RE = Er³⁺–Lu³⁺) and new compounds in the Ba₂RE₂Si₄O₁₃ (RE = La³⁺–Ho³⁺) family, covering the whole range of ionic radii for the rare earth ions. The Ba₂RE₂Si₄O₁₃ series is further subdivided into two polymorphs, also showing a dependence on rare earth ionic radius (space group for La³⁺–Nd³⁺, and space group C2/c for Sm³⁺–Ho³⁺). Two of the structure types identified are based on dinuclear rare earth units that differ in their crystal chemistries, particularly with respect to the role of fluorine as a structural director. The broad study of rare earth ions provides greater insight into understanding structural variations within silicate frameworks and the nature of f-block incorporation in oxyanion frameworks. The single crystals are grown from high-temperature (ca 953 K) hydro­thermal fluids, demonstrating the versatility of the technique to access new phases containing recalcitrant rare earth oxides, enabling the study of structural trends.

Computing details

Data collection: Bruker APEX3 for La, Ce, Pr, Tb, Tm, Yb; CrystalClear (Rigaku/MSC, 2008) for Sm, Eu, Dy, Ho, Er, Lu. Cell refinement: Bruker SAINT for La, Ce, Pr, Tb, Tm, Yb; CrystalClear (Rigaku/MSC, 2008) for Sm, Eu, Dy, Ho, Er, Lu. Data reduction: Bruker SAINT for La, Ce, Pr, Tb, Tm, Yb; CrystalClear (Rigaku/MSC, 2008) for Sm, Eu, Dy, Ho, Er, Lu. Program(s) used to solve structure: SHELXT-2014 (Sheldrick 2014) for La, Ce, Pr, Tm, Yb; SHELXL2014/7 (Sheldrick, 2014) for Sm, Eu, Dy, Ho, Er, Lu; SHELXL2014 (Sheldrick 2014) for Tb. Program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2014) for La, Ce, Pr, Sm, Eu, Dy, Ho, Er, Tm, Yb, Lu; SHELXL2014 (Sheldrick 2014) for Tb. For all structures, molecular graphics: DIAMOND (Bradenburg, 1999). Software used to prepare material for publication: Bruker SHELXTL for La, Ce, Pr, Tb, Tm, Yb; SHELXL2014/7 (Sheldrick, 2014) for Sm, Eu, Dy, Ho, Er, Lu.

(La)

Crystal data

Ba2La2O13Si4	Z = 2
Mr = 872.86	F(000) = 772
Triclinic, P1	Dx = 4.900 Mg m^−3
a = 6.7327 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.9894 (4) Å	Cell parameters from 9900 reflections
c = 10.2191 (4) Å	θ = 2.3–28.3°
α = 86.6588 (12)°	µ = 14.12 mm^−1
β = 73.5660 (12)°	T = 300 K
γ = 86.5873 (13)°	Block, colourless
V = 591.62 (4) Å^3	0.11 × 0.10 × 0.10 mm

Data collection

Bruker Photon 100 diffractometer	2218 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.025
φ and ω scans	θmax = 26.0°, θmin = 2.1°
Absorption correction: multi-scan SADABS, Bruker	h = −8→8
Tmin = 0.788, Tmax = 1.000	k = −11→11
10742 measured reflections	l = −11→12
2309 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.020	Secondary atom site location: difference Fourier map
wR(F^2) = 0.051	w = 1/[σ^2(Fo^2) + (0.0427P)^2 + 0.3644P] where P = (Fo^2 + 2Fc^2)/3
S = 1.17	(Δ/σ)max = 0.001
2309 reflections	Δρmax = 0.82 e Å^−3
190 parameters	Δρmin = −1.66 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.22533 (4)	0.33341 (3)	0.55665 (3)	0.00891 (9)
Ba2	0.75458 (4)	0.82796 (3)	1.07751 (3)	0.00716 (8)
La1	0.81221 (4)	0.10920 (3)	0.39581 (2)	0.00386 (8)
La2	0.30909 (4)	0.62200 (3)	0.89937 (2)	0.00425 (8)
Si1	0.60732 (18)	−0.06006 (13)	0.68725 (12)	0.0043 (2)
Si2	0.80176 (18)	0.12284 (13)	0.84381 (12)	0.0041 (2)
Si3	0.67842 (19)	0.38603 (13)	0.67805 (12)	0.0046 (2)
Si4	0.88817 (18)	0.56862 (13)	0.82408 (12)	0.0042 (2)
O1	1.0252 (5)	0.7155 (3)	0.7977 (3)	0.0074 (6)
O2	0.4722 (5)	−0.2071 (3)	0.7079 (3)	0.0085 (6)
O3	0.6661 (5)	0.5978 (3)	0.9374 (3)	0.0067 (6)
O4	0.8275 (5)	−0.0886 (3)	0.5745 (3)	0.0062 (6)
O5	0.6538 (5)	−0.0149 (3)	0.8324 (3)	0.0060 (6)
O6	0.8401 (5)	0.5183 (3)	0.6825 (3)	0.0071 (6)
O7	0.4754 (5)	0.0757 (3)	0.6342 (3)	0.0095 (7)
O8	1.0170 (5)	0.4307 (3)	0.8770 (3)	0.0099 (6)
O9	1.0278 (5)	0.1091 (3)	0.7395 (3)	0.0072 (6)
O10	0.4491 (5)	0.4562 (3)	0.7009 (3)	0.0112 (7)
O11	0.7875 (5)	0.3186 (3)	0.5334 (3)	0.0134 (7)
O12	0.8067 (5)	0.1263 (3)	0.9992 (3)	0.0067 (6)
O13	0.6693 (5)	0.2739 (3)	0.8127 (3)	0.0068 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.01094 (15)	0.00768 (14)	0.00945 (15)	−0.00219 (10)	−0.00487 (11)	0.00072 (10)
Ba2	0.00642 (14)	0.00674 (14)	0.00898 (14)	−0.00069 (10)	−0.00304 (11)	−0.00087 (10)
La1	0.00369 (14)	0.00387 (13)	0.00421 (14)	−0.00021 (9)	−0.00145 (10)	0.00009 (9)
La2	0.00397 (14)	0.00427 (13)	0.00442 (14)	−0.00006 (9)	−0.00126 (10)	0.00099 (9)
Si1	0.0042 (6)	0.0053 (5)	0.0037 (6)	−0.0013 (4)	−0.0012 (5)	−0.0002 (4)
Si2	0.0039 (6)	0.0047 (5)	0.0033 (6)	−0.0005 (4)	−0.0003 (5)	−0.0004 (4)
Si3	0.0060 (6)	0.0048 (5)	0.0033 (6)	−0.0008 (4)	−0.0017 (5)	−0.0007 (4)
Si4	0.0039 (6)	0.0054 (5)	0.0037 (5)	−0.0013 (4)	−0.0014 (5)	−0.0001 (4)
O1	0.0074 (16)	0.0081 (15)	0.0077 (16)	−0.0041 (12)	−0.0035 (13)	0.0023 (12)
O2	0.0095 (16)	0.0097 (15)	0.0066 (16)	−0.0047 (12)	−0.0025 (13)	0.0023 (12)
O3	0.0049 (15)	0.0074 (15)	0.0079 (15)	−0.0007 (12)	−0.0020 (12)	0.0000 (12)
O4	0.0053 (15)	0.0073 (14)	0.0065 (15)	−0.0007 (11)	−0.0025 (12)	−0.0011 (12)
O5	0.0087 (16)	0.0060 (14)	0.0042 (15)	−0.0029 (12)	−0.0028 (12)	−0.0001 (11)
O6	0.0085 (16)	0.0077 (15)	0.0056 (15)	−0.0036 (12)	−0.0025 (13)	0.0002 (12)
O7	0.0074 (16)	0.0102 (15)	0.0119 (17)	0.0021 (12)	−0.0049 (13)	0.0002 (13)
O8	0.0092 (16)	0.0092 (15)	0.0122 (16)	0.0019 (12)	−0.0052 (13)	0.0004 (12)
O9	0.0056 (15)	0.0087 (15)	0.0069 (15)	−0.0002 (12)	−0.0005 (13)	−0.0027 (12)
O10	0.0094 (17)	0.0109 (16)	0.0150 (17)	0.0015 (13)	−0.0063 (14)	−0.0035 (13)
O11	0.0183 (18)	0.0096 (16)	0.0096 (17)	−0.0027 (13)	0.0019 (14)	−0.0055 (13)
O12	0.0080 (16)	0.0085 (15)	0.0040 (15)	−0.0023 (12)	−0.0023 (12)	0.0005 (11)
O13	0.0055 (15)	0.0067 (14)	0.0059 (15)	0.0002 (11)	0.0015 (12)	0.0017 (11)

Geometric parameters (Å, º)

Ba1—O10	2.703 (3)	Si1—La1^i	3.2315 (12)
Ba1—O4^i	2.734 (3)	Si1—Ba1^i	3.5093 (12)
Ba1—O9^ii	2.793 (3)	Si1—Ba2^vi	3.5685 (12)
Ba1—O6^iii	2.847 (3)	Si2—O9	1.595 (3)
Ba1—O7	2.984 (3)	Si2—O12	1.599 (3)
Ba1—O6^ii	2.998 (3)	Si2—O13	1.645 (3)
Ba1—O11^ii	3.035 (4)	Si2—O5	1.664 (3)
Ba1—O2^i	3.116 (3)	Si2—Ba2^v	3.3647 (12)
Ba1—O11^iii	3.212 (3)	Si2—Ba2^ix	3.4299 (12)
Ba1—O8^ii	3.322 (3)	Si2—La2^vi	3.4778 (12)
Ba1—Si3^iii	3.3381 (12)	Si2—Ba2^vi	3.6073 (12)
Ba1—Si1^i	3.5093 (12)	Si3—O11	1.590 (3)
Ba2—O12^iv	2.768 (3)	Si3—O10	1.592 (3)
Ba2—O3	2.768 (3)	Si3—O13	1.647 (3)
Ba2—O9^v	2.782 (3)	Si3—O6	1.670 (3)
Ba2—O8^v	2.800 (3)	Si3—Ba1^iii	3.3381 (12)
Ba2—O12^v	2.882 (3)	Si3—Ba1^x	3.5494 (13)
Ba2—O13^vi	2.936 (3)	Si3—Ba2^vi	3.7981 (12)
Ba2—O5^iv	3.027 (3)	Si4—O1	1.622 (3)
Ba2—O7^vi	3.063 (3)	Si4—O8	1.625 (3)
Ba2—O5^vi	3.071 (3)	Si4—O3	1.629 (3)
Ba2—O1	3.112 (3)	Si4—O6	1.662 (3)
Ba2—Si2^v	3.3648 (12)	Si4—La2^vi	3.2046 (12)
Ba2—Si2^iv	3.4299 (12)	Si4—La2^x	3.2081 (12)
La1—O11	2.385 (3)	Si4—Ba1^x	3.6992 (12)
La1—O9^vii	2.478 (3)	O1—La1^viii	2.492 (3)
La1—O1^viii	2.492 (3)	O1—La2^x	2.503 (3)
La1—O4	2.492 (3)	O2—La2^ix	2.455 (3)
La1—O4^vii	2.523 (3)	O2—La1^i	2.530 (3)
La1—O2^i	2.530 (3)	O2—Ba1^i	3.116 (3)
La1—O7^i	2.718 (3)	O3—La2^vi	2.540 (3)
La1—O7	2.835 (3)	O4—La1^vii	2.523 (3)
La1—Si1^i	3.2315 (12)	O4—Ba1^i	2.734 (3)
La1—Si1	3.2381 (12)	O5—Ba2^ix	3.027 (3)
La1—La2^iii	3.9893 (4)	O5—Ba2^vi	3.071 (3)
La1—Ba1^i	3.9944 (4)	O6—Ba1^iii	2.847 (3)
La2—O2^iv	2.455 (3)	O6—Ba1^x	2.998 (3)
La2—O1^ii	2.503 (3)	O7—La1^i	2.718 (3)
La2—O10	2.516 (3)	O7—Ba2^vi	3.063 (3)
La2—O12^vi	2.531 (3)	O8—La2^vi	2.725 (3)
La2—O3	2.536 (3)	O8—La2^x	2.753 (3)
La2—O3^vi	2.540 (3)	O8—Ba2^v	2.800 (3)
La2—O8^vi	2.725 (3)	O8—Ba1^x	3.322 (3)
La2—O8^ii	2.753 (3)	O9—La1^vii	2.479 (3)
La2—Si4^vi	3.2047 (12)	O9—Ba2^v	2.782 (3)
La2—Si4^ii	3.2081 (12)	O9—Ba1^x	2.793 (3)
La2—Si2^vi	3.4778 (12)	O11—Ba1^x	3.035 (4)
La2—La1^iii	3.9893 (4)	O11—Ba1^iii	3.212 (3)
Si1—O4	1.617 (3)	O12—La2^vi	2.531 (3)
Si1—O2	1.619 (3)	O12—Ba2^ix	2.768 (3)
Si1—O7	1.624 (3)	O12—Ba2^v	2.882 (3)
Si1—O5	1.677 (3)	O13—Ba2^vi	2.936 (3)
O10—Ba1—O4^i	146.42 (9)	O10—La2—Si4^vi	111.36 (8)
O10—Ba1—O9^ii	101.89 (10)	O12^vi—La2—Si4^vi	95.34 (7)
O4^i—Ba1—O9^ii	68.01 (9)	O3—La2—Si4^vi	91.75 (7)
O10—Ba1—O6^iii	121.09 (9)	O3^vi—La2—Si4^vi	30.22 (7)
O4^i—Ba1—O6^iii	81.50 (9)	O8^vi—La2—Si4^vi	30.46 (7)
O9^ii—Ba1—O6^iii	134.80 (9)	O8^ii—La2—Si4^vi	66.62 (7)
O10—Ba1—O7	76.05 (9)	O2^iv—La2—Si4^ii	99.63 (8)
O4^i—Ba1—O7	71.23 (9)	O1^ii—La2—Si4^ii	29.87 (7)
O9^ii—Ba1—O7	60.21 (9)	O10—La2—Si4^ii	80.20 (8)
O6^iii—Ba1—O7	139.35 (9)	O12^vi—La2—Si4^ii	95.84 (7)
O10—Ba1—O6^ii	93.59 (9)	O3—La2—Si4^ii	165.41 (7)
O4^i—Ba1—O6^ii	116.02 (9)	O3^vi—La2—Si4^ii	102.85 (7)
O9^ii—Ba1—O6^ii	84.14 (8)	O8^vi—La2—Si4^ii	66.85 (7)
O6^iii—Ba1—O6^ii	80.14 (9)	O8^ii—La2—Si4^ii	30.43 (7)
O7—Ba1—O6^ii	138.85 (9)	Si4^vi—La2—Si4^ii	85.76 (3)
O10—Ba1—O11^ii	142.42 (9)	O2^iv—La2—Si2^vi	97.73 (8)
O4^i—Ba1—O11^ii	67.09 (9)	O1^ii—La2—Si2^vi	95.81 (7)
O9^ii—Ba1—O11^ii	71.76 (9)	O10—La2—Si2^vi	170.23 (8)
O6^iii—Ba1—O11^ii	65.81 (9)	O12^vi—La2—Si2^vi	25.10 (7)
O7—Ba1—O11^ii	125.04 (9)	O3—La2—Si2^vi	84.89 (7)
O6^ii—Ba1—O11^ii	49.44 (8)	O3^vi—La2—Si2^vi	93.09 (7)
O10—Ba1—O2^i	108.78 (9)	O8^vi—La2—Si2^vi	62.40 (7)
O4^i—Ba1—O2^i	53.31 (8)	O8^ii—La2—Si2^vi	121.30 (7)
O9^ii—Ba1—O2^i	112.54 (8)	Si4^vi—La2—Si2^vi	74.89 (3)
O6^iii—Ba1—O2^i	68.39 (8)	Si4^ii—La2—Si2^vi	108.22 (3)
O7—Ba1—O2^i	71.17 (9)	O2^iv—La2—La1^iii	37.51 (7)
O6^ii—Ba1—O2^i	147.61 (8)	O1^ii—La2—La1^iii	36.91 (7)
O11^ii—Ba1—O2^i	107.69 (8)	O10—La2—La1^iii	80.85 (7)
O10—Ba1—O11^iii	76.53 (9)	O12^vi—La2—La1^iii	73.15 (7)
O4^i—Ba1—O11^iii	130.27 (9)	O3—La2—La1^iii	121.94 (7)
O9^ii—Ba1—O11^iii	145.59 (9)	O3^vi—La2—La1^iii	164.63 (7)
O6^iii—Ba1—O11^iii	48.77 (8)	O8^vi—La2—La1^iii	116.13 (7)
O7—Ba1—O11^iii	146.40 (9)	O8^ii—La2—La1^iii	90.30 (7)
O6^ii—Ba1—O11^iii	61.90 (8)	Si4^vi—La2—La1^iii	145.29 (2)
O11^ii—Ba1—O11^iii	88.55 (8)	Si4^ii—La2—La1^iii	63.73 (2)
O2^i—Ba1—O11^iii	100.06 (8)	Si2^vi—La2—La1^iii	98.23 (2)
O10—Ba1—O8^ii	57.99 (9)	O4—Si1—O2	109.76 (17)
O4^i—Ba1—O8^ii	130.80 (9)	O4—Si1—O7	109.94 (17)
O9^ii—Ba1—O8^ii	64.10 (8)	O2—Si1—O7	107.10 (17)
O6^iii—Ba1—O8^ii	126.75 (8)	O4—Si1—O5	108.22 (17)
O7—Ba1—O8^ii	93.86 (8)	O2—Si1—O5	112.24 (17)
O6^ii—Ba1—O8^ii	49.29 (8)	O7—Si1—O5	109.58 (17)
O11^ii—Ba1—O8^ii	87.58 (8)	O4—Si1—La1^i	118.40 (12)
O2^i—Ba1—O8^ii	162.86 (8)	O2—Si1—La1^i	50.47 (12)
O11^iii—Ba1—O8^ii	87.78 (8)	O7—Si1—La1^i	57.16 (12)
O10—Ba1—Si3^iii	91.25 (7)	O5—Si1—La1^i	133.33 (12)
O4^i—Ba1—Si3^iii	106.54 (7)	O4—Si1—La1	48.87 (11)
O9^ii—Ba1—Si3^iii	162.78 (7)	O2—Si1—La1	124.75 (12)
O6^iii—Ba1—Si3^iii	30.01 (6)	O7—Si1—La1	61.09 (12)
O7—Ba1—Si3^iii	135.01 (7)	O5—Si1—La1	122.67 (12)
O6^ii—Ba1—Si3^iii	83.96 (6)	La1^i—Si1—La1	91.55 (3)
O11^ii—Ba1—Si3^iii	91.04 (7)	O4—Si1—Ba1^i	48.93 (11)
O2^i—Ba1—Si3^iii	72.74 (6)	O2—Si1—Ba1^i	62.62 (12)
O11^iii—Ba1—Si3^iii	28.01 (6)	O7—Si1—Ba1^i	111.45 (12)
O8^ii—Ba1—Si3^iii	115.76 (6)	O5—Si1—Ba1^i	138.10 (12)
O10—Ba1—Si1^i	127.68 (7)	La1^i—Si1—Ba1^i	78.25 (3)
O4^i—Ba1—Si1^i	26.47 (7)	La1—Si1—Ba1^i	72.47 (2)
O9^ii—Ba1—Si1^i	87.55 (6)	O4—Si1—Ba2^vi	151.48 (12)
O6^iii—Ba1—Si1^i	77.51 (6)	O2—Si1—Ba2^vi	98.76 (12)
O7—Ba1—Si1^i	64.56 (7)	O7—Si1—Ba2^vi	58.88 (12)
O6^ii—Ba1—Si1^i	138.72 (6)	O5—Si1—Ba2^vi	59.27 (11)
O11^ii—Ba1—Si1^i	89.60 (6)	La1^i—Si1—Ba2^vi	79.34 (3)
O2^i—Ba1—Si1^i	27.48 (6)	La1—Si1—Ba2^vi	113.21 (3)
O11^iii—Ba1—Si1^i	121.10 (6)	Ba1^i—Si1—Ba2^vi	157.04 (4)
O8^ii—Ba1—Si1^i	150.91 (6)	O9—Si2—O12	112.68 (17)
Si3^iii—Ba1—Si1^i	93.23 (3)	O9—Si2—O13	112.56 (16)
O12^iv—Ba2—O3	129.61 (9)	O12—Si2—O13	106.99 (16)
O12^iv—Ba2—O9^v	83.29 (9)	O9—Si2—O5	112.50 (16)
O3—Ba2—O9^v	142.46 (9)	O12—Si2—O5	108.04 (16)
O12^iv—Ba2—O8^v	140.66 (9)	O13—Si2—O5	103.49 (16)
O3—Ba2—O8^v	70.72 (9)	O9—Si2—Ba2^v	55.18 (11)
O9^v—Ba2—O8^v	71.87 (9)	O12—Si2—Ba2^v	58.81 (11)
O12^iv—Ba2—O12^v	72.81 (10)	O13—Si2—Ba2^v	117.04 (12)
O3—Ba2—O12^v	111.09 (9)	O5—Si2—Ba2^v	139.37 (12)
O9^v—Ba2—O12^v	55.96 (9)	O9—Si2—Ba2^ix	107.75 (12)
O8^v—Ba2—O12^v	68.06 (9)	O12—Si2—Ba2^ix	52.61 (11)
O12^iv—Ba2—O13^vi	118.30 (8)	O13—Si2—Ba2^ix	139.59 (12)
O3—Ba2—O13^vi	66.20 (9)	O5—Si2—Ba2^ix	61.94 (11)
O9^v—Ba2—O13^vi	118.40 (9)	Ba2^v—Si2—Ba2^ix	84.02 (3)
O8^v—Ba2—O13^vi	100.45 (9)	O9—Si2—La2^vi	120.45 (12)
O12^v—Ba2—O13^vi	168.01 (8)	O12—Si2—La2^vi	42.16 (11)
O12^iv—Ba2—O5^iv	54.00 (8)	O13—Si2—La2^vi	65.92 (11)
O3—Ba2—O5^iv	76.31 (8)	O5—Si2—La2^vi	126.03 (12)
O9^v—Ba2—O5^iv	136.47 (8)	Ba2^v—Si2—La2^vi	72.56 (2)
O8^v—Ba2—O5^iv	135.74 (9)	Ba2^ix—Si2—La2^vi	91.57 (3)
O12^v—Ba2—O5^iv	98.55 (8)	O9—Si2—Ba2^vi	152.49 (13)
O13^vi—Ba2—O5^iv	92.17 (8)	O12—Si2—Ba2^vi	94.69 (12)
O12^iv—Ba2—O7^vi	88.28 (9)	O13—Si2—Ba2^vi	53.28 (11)
O3—Ba2—O7^vi	128.03 (9)	O5—Si2—Ba2^vi	58.06 (11)
O9^v—Ba2—O7^vi	59.32 (9)	Ba2^v—Si2—Ba2^vi	149.87 (4)
O8^v—Ba2—O7^vi	103.69 (9)	Ba2^ix—Si2—Ba2^vi	90.67 (3)
O12^v—Ba2—O7^vi	113.90 (8)	La2^vi—Si2—Ba2^vi	77.98 (2)
O13^vi—Ba2—O7^vi	64.31 (8)	O11—Si3—O10	116.92 (19)
O5^iv—Ba2—O7^vi	119.90 (8)	O11—Si3—O13	116.30 (17)
O12^iv—Ba2—O5^vi	68.01 (8)	O10—Si3—O13	105.46 (17)
O3—Ba2—O5^vi	104.80 (9)	O11—Si3—O6	101.40 (17)
O9^v—Ba2—O5^vi	104.65 (8)	O10—Si3—O6	110.23 (17)
O8^v—Ba2—O5^vi	147.03 (9)	O13—Si3—O6	105.97 (16)
O12^v—Ba2—O5^vi	138.23 (8)	O11—Si3—Ba1^iii	71.57 (12)
O13^vi—Ba2—O5^vi	51.20 (8)	O10—Si3—Ba1^iii	80.69 (13)
O5^iv—Ba2—O5^vi	69.62 (9)	O13—Si3—Ba1^iii	164.37 (12)
O7^vi—Ba2—O5^vi	52.17 (8)	O6—Si3—Ba1^iii	58.48 (11)
O12^iv—Ba2—O1	94.06 (8)	O11—Si3—Ba1^x	58.39 (13)
O3—Ba2—O1	53.82 (8)	O10—Si3—Ba1^x	161.53 (13)
O9^v—Ba2—O1	115.32 (8)	O13—Si3—Ba1^x	91.81 (11)
O8^v—Ba2—O1	71.02 (9)	O6—Si3—Ba1^x	57.35 (11)
O12^v—Ba2—O1	61.65 (8)	Ba1^iii—Si3—Ba1^x	80.96 (3)
O13^vi—Ba2—O1	119.04 (8)	O11—Si3—Ba1	79.41 (14)
O5^iv—Ba2—O1	65.81 (8)	O10—Si3—Ba1	41.97 (12)
O7^vi—Ba2—O1	173.89 (8)	O13—Si3—Ba1	109.24 (12)
O5^vi—Ba2—O1	133.92 (8)	O6—Si3—Ba1	140.04 (12)
O12^iv—Ba2—Si2^v	80.21 (7)	Ba1^iii—Si3—Ba1	85.05 (3)
O3—Ba2—Si2^v	127.81 (7)	Ba1^x—Si3—Ba1	137.78 (4)
O9^v—Ba2—Si2^v	28.08 (6)	O11—Si3—Ba2^vi	117.95 (13)
O8^v—Ba2—Si2^v	63.45 (7)	O10—Si3—Ba2^vi	63.26 (12)
O12^v—Ba2—Si2^v	28.34 (6)	O13—Si3—Ba2^vi	47.10 (11)
O13^vi—Ba2—Si2^v	143.88 (6)	O6—Si3—Ba2^vi	138.88 (12)
O5^iv—Ba2—Si2^v	122.36 (6)	Ba1^iii—Si3—Ba2^vi	143.34 (4)
O7^vi—Ba2—Si2^v	87.26 (6)	Ba1^x—Si3—Ba2^vi	135.21 (3)
O5^vi—Ba2—Si2^v	127.21 (6)	Ba1—Si3—Ba2^vi	64.15 (2)
O1—Ba2—Si2^v	87.58 (6)	O1—Si4—O8	108.70 (17)
O12^iv—Ba2—Si2^iv	27.33 (6)	O1—Si4—O3	111.01 (17)
O3—Ba2—Si2^iv	102.45 (7)	O8—Si4—O3	109.70 (17)
O9^v—Ba2—Si2^iv	107.51 (7)	O1—Si4—O6	112.10 (17)
O8^v—Ba2—Si2^iv	138.46 (7)	O8—Si4—O6	107.59 (17)
O12^v—Ba2—Si2^iv	77.57 (6)	O3—Si4—O6	107.67 (17)
O13^vi—Ba2—Si2^iv	114.34 (6)	O1—Si4—La2^vi	130.34 (12)
O5^iv—Ba2—Si2^iv	29.02 (6)	O8—Si4—La2^vi	58.23 (12)
O7^vi—Ba2—Si2^iv	111.29 (6)	O3—Si4—La2^vi	51.68 (11)
O5^vi—Ba2—Si2^iv	74.41 (6)	O6—Si4—La2^vi	117.52 (12)
O1—Ba2—Si2^iv	72.52 (6)	O1—Si4—La2^x	50.24 (11)
Si2^v—Ba2—Si2^iv	95.98 (3)	O8—Si4—La2^x	59.10 (12)
O11—La1—O9^vii	158.40 (11)	O3—Si4—La2^x	119.48 (12)
O11—La1—O1^viii	84.67 (10)	O6—Si4—La2^x	132.82 (12)
O9^vii—La1—O1^viii	91.28 (10)	La2^vi—Si4—La2^x	94.24 (3)
O11—La1—O4	97.32 (11)	O1—Si4—Ba2	63.51 (12)
O9^vii—La1—O4	76.91 (10)	O8—Si4—Ba2	107.49 (13)
O1^viii—La1—O4	152.85 (10)	O3—Si4—Ba2	51.31 (11)
O11—La1—O4^vii	81.24 (11)	O6—Si4—Ba2	143.86 (12)
O9^vii—La1—O4^vii	77.20 (10)	La2^vi—Si4—Ba2	75.13 (3)
O1^viii—La1—O4^vii	83.02 (10)	La2^x—Si4—Ba2	74.46 (3)
O4—La1—O4^vii	70.63 (11)	O1—Si4—Ba1^x	99.23 (12)
O11—La1—O2^i	94.69 (11)	O8—Si4—Ba1^x	63.92 (12)
O9^vii—La1—O2^i	104.48 (10)	O3—Si4—Ba1^x	149.16 (12)
O1^viii—La1—O2^i	73.32 (10)	O6—Si4—Ba1^x	52.67 (11)
O4—La1—O2^i	133.06 (10)	La2^vi—Si4—Ba1^x	111.85 (3)
O4^vii—La1—O2^i	156.28 (10)	La2^x—Si4—Ba1^x	84.41 (3)
O11—La1—O7^i	132.34 (11)	Ba2—Si4—Ba1^x	158.33 (4)
O9^vii—La1—O7^i	67.73 (10)	Si4—O1—La1^viii	138.33 (17)
O1^viii—La1—O7^i	118.87 (10)	Si4—O1—La2^x	99.89 (14)
O4—La1—O7^i	79.49 (10)	La1^viii—O1—La2^x	105.99 (11)
O4^vii—La1—O7^i	138.09 (9)	Si4—O1—Ba2	88.69 (13)
O2^i—La1—O7^i	59.49 (9)	La1^viii—O1—Ba2	121.99 (11)
O11—La1—O7	70.90 (10)	La2^x—O1—Ba2	91.65 (9)
O9^vii—La1—O7	120.82 (9)	Si1—O2—La2^ix	136.27 (17)
O1^viii—La1—O7	144.12 (10)	Si1—O2—La1^i	99.96 (15)
O4—La1—O7	59.33 (9)	La2^ix—O2—La1^i	106.28 (12)
O4^vii—La1—O7	117.27 (10)	Si1—O2—Ba1^i	89.89 (13)
O2^i—La1—O7	82.69 (10)	La2^ix—O2—Ba1^i	119.91 (11)
O7^i—La1—O7	66.82 (11)	La1^i—O2—Ba1^i	97.38 (10)
O11—La1—Si1^i	113.56 (9)	Si4—O3—La2	127.76 (17)
O9^vii—La1—Si1^i	88.01 (7)	Si4—O3—La2^vi	98.10 (14)
O1^viii—La1—Si1^i	97.93 (7)	La2—O3—La2^vi	110.74 (11)
O4—La1—Si1^i	105.87 (7)	Si4—O3—Ba2	101.33 (14)
O4^vii—La1—Si1^i	165.20 (7)	La2—O3—Ba2	114.35 (11)
O2^i—La1—Si1^i	29.58 (7)	La2^vi—O3—Ba2	100.36 (10)
O7^i—La1—Si1^i	30.14 (7)	Si1—O4—La1	101.89 (14)
O7—La1—Si1^i	70.03 (7)	Si1—O4—La1^vii	129.33 (17)
O11—La1—Si1	83.11 (8)	La1—O4—La1^vii	109.37 (11)
O9^vii—La1—Si1	99.50 (7)	Si1—O4—Ba1^i	104.60 (14)
O1^viii—La1—Si1	167.68 (7)	La1—O4—Ba1^i	99.59 (10)
O4—La1—Si1	29.24 (7)	La1^vii—O4—Ba1^i	108.16 (11)
O4^vii—La1—Si1	93.50 (7)	Si2—O5—Si1	124.30 (19)
O2^i—La1—Si1	109.29 (7)	Si2—O5—Ba2^ix	89.04 (12)
O7^i—La1—Si1	71.28 (7)	Si1—O5—Ba2^ix	138.28 (15)
O7—La1—Si1	30.10 (6)	Si2—O5—Ba2^vi	94.57 (13)
Si1^i—La1—Si1	88.45 (3)	Si1—O5—Ba2^vi	92.74 (13)
O11—La1—La2^iii	89.93 (8)	Ba2^ix—O5—Ba2^vi	110.38 (9)
O9^vii—La1—La2^iii	99.60 (7)	Si4—O6—Si3	124.18 (19)
O1^viii—La1—La2^iii	37.10 (7)	Si4—O6—Ba1^iii	136.26 (16)
O4—La1—La2^iii	168.04 (7)	Si3—O6—Ba1^iii	91.51 (13)
O4^vii—La1—La2^iii	120.12 (7)	Si4—O6—Ba1^x	101.18 (14)
O2^i—La1—La2^iii	36.21 (7)	Si3—O6—Ba1^x	94.68 (13)
O7^i—La1—La2^iii	88.60 (7)	Ba1^iii—O6—Ba1^x	99.86 (9)
O7—La1—La2^iii	114.94 (6)	Si1—O7—La1^i	92.70 (14)
Si1^i—La1—La2^iii	62.36 (2)	Si1—O7—La1	88.81 (14)
Si1—La1—La2^iii	144.24 (2)	La1^i—O7—La1	113.18 (11)
O11—La1—Ba1^i	138.64 (8)	Si1—O7—Ba1	175.96 (18)
O9^vii—La1—Ba1^i	43.77 (7)	La1^i—O7—Ba1	88.80 (9)
O1^viii—La1—Ba1^i	134.65 (7)	La1—O7—Ba1	94.05 (9)
O4—La1—Ba1^i	42.44 (7)	Si1—O7—Ba2^vi	94.12 (14)
O4^vii—La1—Ba1^i	90.36 (7)	La1^i—O7—Ba2^vi	97.40 (10)
O2^i—La1—Ba1^i	107.33 (7)	La1—O7—Ba2^vi	149.13 (12)
O7^i—La1—Ba1^i	48.33 (6)	Ba1—O7—Ba2^vi	81.96 (8)
O7—La1—Ba1^i	77.58 (6)	Si4—O8—La2^vi	91.31 (14)
Si1^i—La1—Ba1^i	78.42 (2)	Si4—O8—La2^x	90.47 (14)
Si1—La1—Ba1^i	56.90 (2)	La2^vi—O8—La2^x	118.14 (12)
La2^iii—La1—Ba1^i	128.156 (8)	Si4—O8—Ba2^v	169.68 (19)
O2^iv—La2—O1^ii	74.42 (11)	La2^vi—O8—Ba2^v	94.27 (10)
O2^iv—La2—O10	75.56 (10)	La2^x—O8—Ba2^v	94.54 (10)
O1^ii—La2—O10	89.27 (10)	Si4—O8—Ba1^x	90.03 (13)
O2^iv—La2—O12^vi	78.35 (10)	La2^vi—O8—Ba1^x	142.23 (12)
O1^ii—La2—O12^vi	75.38 (10)	La2^x—O8—Ba1^x	99.59 (10)
O10—La2—O12^vi	152.49 (10)	Ba2^v—O8—Ba1^x	80.25 (8)
O2^iv—La2—O3	84.47 (10)	Si2—O9—La1^vii	127.06 (16)
O1^ii—La2—O3	158.79 (10)	Si2—O9—Ba2^v	96.74 (14)
O10—La2—O3	87.37 (10)	La1^vii—O9—Ba2^v	111.40 (11)
O12^vi—La2—O3	98.70 (10)	Si2—O9—Ba1^x	126.06 (16)
O2^iv—La2—O3^vi	150.54 (10)	La1^vii—O9—Ba1^x	98.36 (10)
O1^ii—La2—O3^vi	131.70 (10)	Ba2^v—O9—Ba1^x	90.71 (9)
O10—La2—O3^vi	89.72 (10)	Si3—O10—La2	117.40 (16)
O12^vi—La2—O3^vi	117.57 (10)	Si3—O10—Ba1	114.84 (16)
O3—La2—O3^vi	69.26 (11)	La2—O10—Ba1	126.21 (13)
O2^iv—La2—O8^vi	147.75 (10)	Si3—O11—La1	144.91 (19)
O1^ii—La2—O8^vi	82.27 (10)	Si3—O11—Ba1^x	95.11 (15)
O10—La2—O8^vi	126.77 (10)	La1—O11—Ba1^x	102.94 (11)
O12^vi—La2—O8^vi	74.36 (9)	Si3—O11—Ba1^iii	80.42 (12)
O3—La2—O8^vi	116.22 (10)	La1—O11—Ba1^iii	128.16 (13)
O3^vi—La2—O8^vi	60.59 (10)	Ba1^x—O11—Ba1^iii	91.45 (8)
O2^iv—La2—O8^ii	120.71 (10)	Si2—O12—La2^vi	112.74 (15)
O1^ii—La2—O8^ii	60.03 (9)	Si2—O12—Ba2^ix	100.05 (14)
O10—La2—O8^ii	68.47 (10)	La2^vi—O12—Ba2^ix	138.21 (12)
O12^vi—La2—O8^ii	119.59 (10)	Si2—O12—Ba2^v	92.84 (13)
O3—La2—O8^ii	136.56 (9)	La2^vi—O12—Ba2^v	96.65 (9)
O3^vi—La2—O8^ii	74.89 (9)	Ba2^ix—O12—Ba2^v	107.19 (10)
O8^vi—La2—O8^ii	61.86 (12)	Si2—O13—Si3	135.1 (2)
O2^iv—La2—Si4^vi	172.02 (8)	Si2—O13—Ba2^vi	100.05 (13)
O1^ii—La2—Si4^vi	108.94 (7)	Si3—O13—Ba2^vi	108.65 (14)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x−1, y, z; (iii) −x+1, −y+1, −z+1; (iv) x, y+1, z; (v) −x+2, −y+1, −z+2; (vi) −x+1, −y+1, −z+2; (vii) −x+2, −y, −z+1; (viii) −x+2, −y+1, −z+1; (ix) x, y−1, z; (x) x+1, y, z.

(Ce)

Crystal data

Ba2Ce2O13Si4	Z = 2
Mr = 875.28	F(000) = 776
Triclinic, P1	Dx = 4.974 Mg m^−3
a = 6.7062 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.9719 (4) Å	Cell parameters from 9144 reflections
c = 10.1565 (5) Å	θ = 3.0–28.3°
α = 86.6118 (16)°	µ = 14.77 mm^−1
β = 73.5658 (15)°	T = 300 K
γ = 86.4609 (16)°	Block, purple
V = 584.45 (5) Å^3	0.07 × 0.06 × 0.06 mm

Data collection

Bruker Photon 100 diffractometer	2274 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.033
φ and ω scans	θmax = 26.5°, θmin = 2.1°
Absorption correction: multi-scan SADABS, Bruker	h = −8→8
Tmin = 0.680, Tmax = 1.000	k = −11→11
22454 measured reflections	l = −12→12
2433 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.019	Secondary atom site location: difference Fourier map
wR(F^2) = 0.045	w = 1/[σ^2(Fo^2) + (0.0427P)^2 + 0.3644P] where P = (Fo^2 + 2Fc^2)/3
S = 1.12	(Δ/σ)max = 0.002
2433 reflections	Δρmax = 0.67 e Å^−3
190 parameters	Δρmin = −1.71 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.22932 (4)	0.33177 (3)	0.55628 (3)	0.01095 (7)
Ba2	0.75497 (4)	0.82700 (3)	1.07632 (2)	0.00868 (7)
Ce1	0.81453 (3)	0.10888 (2)	0.39455 (2)	0.00558 (7)
Ce2	0.30991 (3)	0.62213 (2)	0.89848 (2)	0.00600 (7)
Si1	0.60533 (17)	−0.05978 (12)	0.68762 (11)	0.0059 (2)
Si2	0.80096 (17)	0.12232 (12)	0.84495 (11)	0.0058 (2)
Si3	0.67875 (17)	0.38547 (12)	0.67667 (11)	0.0063 (2)
Si4	0.88969 (17)	0.56702 (12)	0.82318 (11)	0.0057 (2)
O1	1.0257 (4)	0.7141 (3)	0.7968 (3)	0.0092 (6)
O2	0.4718 (4)	−0.2078 (3)	0.7076 (3)	0.0098 (6)
O3	0.6655 (4)	0.5960 (3)	0.9359 (3)	0.0082 (6)
O4	0.8278 (4)	−0.0869 (3)	0.5742 (3)	0.0082 (6)
O5	0.6519 (4)	−0.0158 (3)	0.8335 (3)	0.0080 (6)
O6	0.8441 (4)	0.5163 (3)	0.6802 (3)	0.0077 (6)
O7	0.4719 (5)	0.0755 (3)	0.6349 (3)	0.0119 (6)
O8	1.0179 (5)	0.4293 (3)	0.8775 (3)	0.0114 (6)
O9	1.0275 (4)	0.1068 (3)	0.7399 (3)	0.0093 (6)
O10	0.4496 (5)	0.4585 (3)	0.7013 (3)	0.0135 (6)
O11	0.7835 (5)	0.3161 (3)	0.5320 (3)	0.0161 (7)
O12	0.8059 (4)	0.1275 (3)	1.0008 (3)	0.0092 (6)
O13	0.6683 (4)	0.2731 (3)	0.8127 (3)	0.0086 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.01260 (14)	0.00951 (13)	0.01181 (13)	−0.00132 (9)	−0.00506 (10)	−0.00002 (9)
Ba2	0.00725 (13)	0.00832 (13)	0.01090 (13)	0.00008 (9)	−0.00312 (10)	−0.00161 (9)
Ce1	0.00482 (12)	0.00544 (12)	0.00655 (12)	0.00046 (8)	−0.00180 (9)	−0.00057 (8)
Ce2	0.00489 (12)	0.00595 (12)	0.00684 (12)	0.00069 (8)	−0.00148 (9)	0.00040 (8)
Si1	0.0050 (5)	0.0066 (5)	0.0063 (5)	−0.0009 (4)	−0.0019 (4)	−0.0007 (4)
Si2	0.0049 (5)	0.0062 (5)	0.0057 (5)	0.0001 (4)	−0.0007 (4)	−0.0010 (4)
Si3	0.0064 (5)	0.0061 (5)	0.0065 (5)	−0.0001 (4)	−0.0015 (4)	−0.0012 (4)
Si4	0.0040 (5)	0.0069 (5)	0.0060 (5)	−0.0014 (4)	−0.0012 (4)	−0.0006 (4)
O1	0.0092 (15)	0.0080 (14)	0.0114 (15)	−0.0030 (11)	−0.0044 (12)	0.0018 (11)
O2	0.0096 (15)	0.0098 (14)	0.0104 (15)	−0.0036 (11)	−0.0032 (12)	0.0006 (11)
O3	0.0050 (14)	0.0101 (14)	0.0092 (14)	−0.0012 (11)	−0.0013 (11)	−0.0004 (11)
O4	0.0044 (14)	0.0103 (14)	0.0100 (14)	0.0000 (11)	−0.0020 (11)	−0.0017 (11)
O5	0.0083 (14)	0.0080 (13)	0.0081 (14)	0.0000 (11)	−0.0029 (11)	−0.0014 (11)
O6	0.0092 (14)	0.0087 (14)	0.0058 (13)	−0.0031 (11)	−0.0024 (11)	−0.0012 (11)
O7	0.0120 (15)	0.0095 (14)	0.0156 (16)	0.0018 (11)	−0.0066 (13)	−0.0010 (12)
O8	0.0112 (15)	0.0091 (14)	0.0149 (15)	0.0016 (11)	−0.0055 (12)	−0.0005 (11)
O9	0.0070 (14)	0.0111 (14)	0.0088 (14)	−0.0008 (11)	0.0002 (12)	−0.0038 (11)
O10	0.0116 (16)	0.0131 (15)	0.0180 (16)	0.0032 (12)	−0.0076 (13)	−0.0044 (12)
O11	0.0199 (17)	0.0135 (15)	0.0118 (15)	−0.0045 (12)	0.0020 (13)	−0.0053 (12)
O12	0.0107 (15)	0.0091 (14)	0.0079 (14)	0.0005 (11)	−0.0028 (12)	−0.0009 (11)
O13	0.0073 (14)	0.0077 (13)	0.0094 (14)	0.0013 (11)	−0.0008 (11)	0.0015 (11)

Geometric parameters (Å, º)

Ba1—O10	2.698 (3)	Si1—Ce1^i	3.2164 (11)
Ba1—O4^i	2.732 (3)	Si1—Ba1^i	3.4853 (11)
Ba1—O9^ii	2.801 (3)	Si1—Ba2^vi	3.5551 (11)
Ba1—O6^iii	2.841 (3)	Si2—O9	1.594 (3)
Ba1—O7	2.937 (3)	Si2—O12	1.596 (3)
Ba1—O6^ii	2.979 (3)	Si2—O13	1.641 (3)
Ba1—O11^ii	3.081 (3)	Si2—O5	1.669 (3)
Ba1—O2^i	3.078 (3)	Si2—Ba2^v	3.3573 (11)
Ba1—O11^iii	3.235 (3)	Si2—Ba2^ix	3.4047 (11)
Ba1—O8^ii	3.315 (3)	Si2—Ce2^vi	3.4640 (11)
Ba1—Si3^iii	3.3274 (11)	Si2—Ba2^vi	3.5906 (11)
Ba1—Si1^i	3.4854 (11)	Si3—O11	1.584 (3)
Ba2—O3	2.770 (3)	Si3—O10	1.591 (3)
Ba2—O12^iv	2.774 (3)	Si3—O13	1.649 (3)
Ba2—O9^v	2.783 (3)	Si3—O6	1.672 (3)
Ba2—O8^v	2.770 (3)	Si3—Ba1^iii	3.3275 (11)
Ba2—O12^v	2.874 (3)	Si3—Ba1^x	3.5574 (12)
Ba2—O13^vi	2.919 (3)	Si3—Ba2^vi	3.7919 (12)
Ba2—O5^iv	2.997 (3)	Si4—O8	1.621 (3)
Ba2—O7^vi	3.049 (3)	Si4—O1	1.616 (3)
Ba2—O5^vi	3.058 (3)	Si4—O3	1.628 (3)
Ba2—O1	3.095 (3)	Si4—O6	1.660 (3)
Ba2—Si2^v	3.3574 (11)	Si4—Ce2^vi	3.1993 (11)
Ba2—Si2^iv	3.4047 (11)	Si4—Ce2^x	3.1949 (11)
Ce1—O11	2.355 (3)	Si4—Ba1^x	3.6851 (11)
Ce1—O9^vii	2.444 (3)	O1—Ce1^viii	2.473 (3)
Ce1—O4	2.473 (3)	O1—Ce2^x	2.490 (3)
Ce1—O1^viii	2.473 (3)	O2—Ce2^ix	2.435 (3)
Ce1—O4^vii	2.501 (3)	O2—Ce1^i	2.522 (3)
Ce1—O2^i	2.522 (3)	O2—Ba1^i	3.078 (3)
Ce1—O7^i	2.700 (3)	O3—Ce2^vi	2.533 (3)
Ce1—O7	2.855 (3)	O4—Ce1^vii	2.501 (3)
Ce1—Si1^i	3.2163 (11)	O4—Ba1^i	2.732 (3)
Ce1—Si1	3.2381 (11)	O5—Ba2^ix	2.997 (3)
Ce1—Ce2^iii	3.9605 (3)	O5—Ba2^vi	3.058 (3)
Ce1—Ba1^i	3.9741 (4)	O6—Ba1^iii	2.841 (3)
Ce2—O2^iv	2.435 (3)	O6—Ba1^x	2.979 (3)
Ce2—O1^ii	2.490 (3)	O7—Ce1^i	2.701 (3)
Ce2—O10	2.482 (3)	O7—Ba2^vi	3.049 (3)
Ce2—O12^vi	2.510 (3)	O8—Ce2^vi	2.719 (3)
Ce2—O3	2.514 (3)	O8—Ce2^x	2.751 (3)
Ce2—O3^vi	2.533 (3)	O8—Ba2^v	2.770 (3)
Ce2—O8^vi	2.719 (3)	O8—Ba1^x	3.315 (3)
Ce2—O8^ii	2.751 (3)	O9—Ce1^vii	2.444 (3)
Ce2—Si4^vi	3.1993 (11)	O9—Ba2^v	2.783 (3)
Ce2—Si4^ii	3.1949 (11)	O9—Ba1^x	2.801 (3)
Ce2—Si2^vi	3.4640 (11)	O11—Ba1^x	3.081 (3)
Ce2—Ce1^iii	3.9605 (3)	O11—Ba1^iii	3.235 (3)
Si1—O4	1.622 (3)	O12—Ce2^vi	2.510 (3)
Si1—O2	1.618 (3)	O12—Ba2^ix	2.774 (3)
Si1—O7	1.619 (3)	O12—Ba2^v	2.874 (3)
Si1—O5	1.672 (3)	O13—Ba2^vi	2.919 (3)
O10—Ba1—O4^i	147.78 (8)	O10—Ce2—Si4^vi	111.72 (7)
O10—Ba1—O9^ii	102.71 (9)	O12^vi—Ce2—Si4^vi	95.14 (7)
O4^i—Ba1—O9^ii	67.45 (8)	O3—Ce2—Si4^vi	91.88 (7)
O10—Ba1—O6^iii	120.38 (9)	O3^vi—Ce2—Si4^vi	30.26 (6)
O4^i—Ba1—O6^iii	82.14 (8)	O8^vi—Ce2—Si4^vi	30.43 (6)
O9^ii—Ba1—O6^iii	133.92 (8)	O8^ii—Ce2—Si4^vi	66.22 (6)
O10—Ba1—O7	77.36 (8)	O2^iv—Ce2—Si4^ii	99.85 (7)
O4^i—Ba1—O7	71.22 (8)	O1^ii—Ce2—Si4^ii	29.88 (7)
O9^ii—Ba1—O7	59.95 (8)	O10—Ce2—Si4^ii	80.10 (7)
O6^iii—Ba1—O7	140.87 (8)	O12^vi—Ce2—Si4^ii	96.09 (7)
O10—Ba1—O6^ii	93.08 (8)	O3—Ce2—Si4^ii	164.70 (7)
O4^i—Ba1—O6^ii	115.19 (8)	O3^vi—Ce2—Si4^ii	102.74 (7)
O9^ii—Ba1—O6^ii	84.00 (8)	O8^vi—Ce2—Si4^ii	66.62 (7)
O6^iii—Ba1—O6^ii	78.51 (8)	O8^ii—Ce2—Si4^ii	30.49 (6)
O7—Ba1—O6^ii	138.65 (8)	Si4^vi—Ce2—Si4^ii	85.43 (3)
O10—Ba1—O11^ii	141.87 (8)	O2^iv—Ce2—Si2^vi	97.48 (7)
O4^i—Ba1—O11^ii	66.32 (8)	O1^ii—Ce2—Si2^vi	95.93 (7)
O9^ii—Ba1—O11^ii	71.17 (8)	O10—Ce2—Si2^vi	170.00 (7)
O6^iii—Ba1—O11^ii	65.05 (8)	O12^vi—Ce2—Si2^vi	25.06 (7)
O7—Ba1—O11^ii	124.23 (8)	O3—Ce2—Si2^vi	85.24 (7)
O6^ii—Ba1—O11^ii	49.36 (7)	O3^vi—Ce2—Si2^vi	92.75 (7)
O10—Ba1—O2^i	109.51 (8)	O8^vi—Ce2—Si2^vi	62.47 (6)
O4^i—Ba1—O2^i	53.90 (8)	O8^ii—Ce2—Si2^vi	121.34 (6)
O9^ii—Ba1—O2^i	112.80 (8)	Si4^vi—Ce2—Si2^vi	74.83 (3)
O6^iii—Ba1—O2^i	69.31 (8)	Si4^ii—Ce2—Si2^vi	108.46 (3)
O7—Ba1—O2^i	71.86 (8)	O2^iv—Ce2—Ce1^iii	37.72 (7)
O6^ii—Ba1—O2^i	146.90 (8)	O1^ii—Ce2—Ce1^iii	36.91 (7)
O11^ii—Ba1—O2^i	107.32 (8)	O10—Ce2—Ce1^iii	81.17 (7)
O10—Ba1—O11^iii	75.19 (8)	O12^vi—Ce2—Ce1^iii	72.71 (6)
O4^i—Ba1—O11^iii	130.87 (8)	O3—Ce2—Ce1^iii	122.32 (6)
O9^ii—Ba1—O11^iii	145.09 (8)	O3^vi—Ce2—Ce1^iii	165.08 (6)
O6^iii—Ba1—O11^iii	48.73 (8)	O8^vi—Ce2—Ce1^iii	115.49 (6)
O7—Ba1—O11^iii	146.79 (8)	O8^ii—Ce2—Ce1^iii	90.72 (6)
O6^ii—Ba1—O11^iii	61.61 (8)	Si4^vi—Ce2—Ce1^iii	144.71 (2)
O11^ii—Ba1—O11^iii	88.98 (8)	Si4^ii—Ce2—Ce1^iii	63.87 (2)
O2^i—Ba1—O11^iii	100.24 (8)	Si2^vi—Ce2—Ce1^iii	97.755 (19)
O10—Ba1—O8^ii	57.89 (8)	O4—Si1—O2	109.82 (15)
O4^i—Ba1—O8^ii	130.19 (8)	O4—Si1—O7	109.99 (16)
O9^ii—Ba1—O8^ii	64.14 (7)	O2—Si1—O7	107.14 (16)
O6^iii—Ba1—O8^ii	125.32 (7)	O4—Si1—O5	107.84 (15)
O7—Ba1—O8^ii	93.80 (8)	O2—Si1—O5	112.15 (15)
O6^ii—Ba1—O8^ii	49.39 (7)	O7—Si1—O5	109.91 (15)
O11^ii—Ba1—O8^ii	87.41 (8)	O4—Si1—Ce1^i	118.93 (11)
O2^i—Ba1—O8^ii	163.46 (7)	O2—Si1—Ce1^i	50.61 (11)
O11^iii—Ba1—O8^ii	87.21 (7)	O7—Si1—Ce1^i	56.99 (11)
O10—Ba1—Si3^iii	90.54 (7)	O5—Si1—Ce1^i	133.17 (11)
O4^i—Ba1—Si3^iii	107.17 (6)	O4—Si1—Ce1	48.21 (10)
O9^ii—Ba1—Si3^iii	161.95 (6)	O2—Si1—Ce1	124.67 (11)
O6^iii—Ba1—Si3^iii	30.17 (6)	O7—Si1—Ce1	61.80 (11)
O7—Ba1—Si3^iii	136.25 (6)	O5—Si1—Ce1	122.69 (11)
O6^ii—Ba1—Si3^iii	83.08 (6)	Ce1^i—Si1—Ce1	92.15 (3)
O11^ii—Ba1—Si3^iii	90.83 (6)	O4—Si1—Ba1^i	49.68 (10)
O2^i—Ba1—Si3^iii	73.14 (6)	O2—Si1—Ba1^i	62.01 (11)
O11^iii—Ba1—Si3^iii	27.89 (5)	O7—Si1—Ba1^i	111.31 (11)
O8^ii—Ba1—Si3^iii	115.09 (5)	O5—Si1—Ba1^i	138.03 (11)
O10—Ba1—Si1^i	128.72 (6)	Ce1^i—Si1—Ba1^i	78.10 (2)
O4^i—Ba1—Si1^i	26.91 (6)	Ce1—Si1—Ba1^i	72.36 (2)
O9^ii—Ba1—Si1^i	87.47 (6)	O4—Si1—Ba2^vi	150.66 (11)
O6^iii—Ba1—Si1^i	78.45 (6)	O2—Si1—Ba2^vi	99.51 (11)
O7—Ba1—Si1^i	64.75 (6)	O7—Si1—Ba2^vi	58.81 (11)
O6^ii—Ba1—Si1^i	138.18 (6)	O5—Si1—Ba2^vi	59.23 (10)
O11^ii—Ba1—Si1^i	89.19 (6)	Ce1^i—Si1—Ba2^vi	79.52 (2)
O2^i—Ba1—Si1^i	27.66 (5)	Ce1—Si1—Ba2^vi	113.43 (3)
O11^iii—Ba1—Si1^i	121.59 (6)	Ba1^i—Si1—Ba2^vi	157.10 (3)
O8^ii—Ba1—Si1^i	150.93 (5)	O9—Si2—O12	112.84 (16)
Si3^iii—Ba1—Si1^i	93.81 (3)	O9—Si2—O13	112.73 (16)
O3—Ba2—O12^iv	130.42 (8)	O12—Si2—O13	106.88 (15)
O3—Ba2—O9^v	143.04 (8)	O9—Si2—O5	112.06 (15)
O12^iv—Ba2—O9^v	82.13 (8)	O12—Si2—O5	108.51 (15)
O3—Ba2—O8^v	70.86 (8)	O13—Si2—O5	103.24 (15)
O12^iv—Ba2—O8^v	140.65 (9)	O9—Si2—Ba2^v	55.46 (11)
O9^v—Ba2—O8^v	72.32 (8)	O12—Si2—Ba2^v	58.75 (11)
O3—Ba2—O12^v	111.21 (8)	O13—Si2—Ba2^v	116.94 (11)
O12^iv—Ba2—O12^v	72.89 (9)	O5—Si2—Ba2^v	139.73 (11)
O9^v—Ba2—O12^v	56.01 (8)	O9—Si2—Ba2^ix	107.18 (11)
O8^v—Ba2—O12^v	68.08 (8)	O12—Si2—Ba2^ix	53.64 (10)
O3—Ba2—O13^vi	66.35 (8)	O13—Si2—Ba2^ix	140.06 (11)
O12^iv—Ba2—O13^vi	118.00 (8)	O5—Si2—Ba2^ix	61.65 (10)
O9^v—Ba2—O13^vi	118.27 (8)	Ba2^v—Si2—Ba2^ix	84.44 (3)
O8^v—Ba2—O13^vi	100.55 (8)	O9—Si2—Ce2^vi	120.83 (11)
O12^v—Ba2—O13^vi	168.07 (8)	O12—Si2—Ce2^vi	41.77 (10)
O3—Ba2—O5^iv	76.59 (8)	O13—Si2—Ce2^vi	66.17 (10)
O12^iv—Ba2—O5^iv	54.50 (8)	O5—Si2—Ce2^vi	126.09 (11)
O9^v—Ba2—O5^iv	135.88 (8)	Ba2^v—Si2—Ce2^vi	72.39 (2)
O8^v—Ba2—O5^iv	136.30 (8)	Ba2^ix—Si2—Ce2^vi	92.21 (3)
O12^v—Ba2—O5^iv	98.79 (8)	O9—Si2—Ba2^vi	152.41 (12)
O13^vi—Ba2—O5^iv	92.03 (8)	O12—Si2—Ba2^vi	94.63 (11)
O3—Ba2—O7^vi	128.31 (8)	O13—Si2—Ba2^vi	53.15 (10)
O12^iv—Ba2—O7^vi	87.32 (8)	O5—Si2—Ba2^vi	58.15 (10)
O9^v—Ba2—O7^vi	58.73 (8)	Ba2^v—Si2—Ba2^vi	149.66 (3)
O8^v—Ba2—O7^vi	103.47 (8)	Ba2^ix—Si2—Ba2^vi	90.87 (3)
O12^v—Ba2—O7^vi	113.47 (8)	Ce2^vi—Si2—Ba2^vi	77.88 (2)
O13^vi—Ba2—O7^vi	64.48 (8)	O11—Si3—O10	117.02 (17)
O5^iv—Ba2—O7^vi	119.60 (8)	O11—Si3—O13	116.17 (16)
O3—Ba2—O5^vi	105.08 (8)	O10—Si3—O13	105.06 (16)
O12^iv—Ba2—O5^vi	67.36 (8)	O11—Si3—O6	102.04 (16)
O9^v—Ba2—O5^vi	103.98 (8)	O10—Si3—O6	110.02 (15)
O8^v—Ba2—O5^vi	147.20 (8)	O13—Si3—O6	105.99 (15)
O12^v—Ba2—O5^vi	137.81 (8)	O11—Si3—Ba1^iii	72.82 (12)
O13^vi—Ba2—O5^vi	51.40 (7)	O10—Si3—Ba1^iii	79.92 (12)
O5^iv—Ba2—O5^vi	69.16 (9)	O13—Si3—Ba1^iii	164.34 (11)
O7^vi—Ba2—O5^vi	52.35 (8)	O6—Si3—Ba1^iii	58.59 (10)
O3—Ba2—O1	53.94 (8)	O11—Si3—Ba1^x	59.79 (12)
O12^iv—Ba2—O1	94.87 (8)	O10—Si3—Ba1^x	161.33 (13)
O9^v—Ba2—O1	115.45 (8)	O13—Si3—Ba1^x	91.85 (11)
O8^v—Ba2—O1	71.03 (8)	O6—Si3—Ba1^x	56.45 (10)
O12^v—Ba2—O1	61.61 (8)	Ba1^iii—Si3—Ba1^x	81.71 (3)
O13^vi—Ba2—O1	119.34 (8)	O11—Si3—Ba1	78.24 (13)
O5^iv—Ba2—O1	66.37 (7)	O10—Si3—Ba1	43.30 (11)
O7^vi—Ba2—O1	173.49 (8)	O13—Si3—Ba1	108.75 (11)
O5^vi—Ba2—O1	134.10 (7)	O6—Si3—Ba1	140.87 (11)
O3—Ba2—Si2^v	128.11 (6)	Ba1^iii—Si3—Ba1	85.19 (3)
O12^iv—Ba2—Si2^v	79.66 (6)	Ba1^x—Si3—Ba1	138.01 (3)
O9^v—Ba2—Si2^v	28.15 (6)	O11—Si3—Ba2^vi	117.06 (12)
O8^v—Ba2—Si2^v	63.64 (6)	O10—Si3—Ba2^vi	63.59 (12)
O12^v—Ba2—Si2^v	28.34 (6)	O13—Si3—Ba2^vi	46.68 (10)
O13^vi—Ba2—Si2^v	143.81 (6)	O6—Si3—Ba2^vi	139.01 (11)
O5^iv—Ba2—Si2^v	122.34 (6)	Ba1^iii—Si3—Ba2^vi	142.92 (3)
O7^vi—Ba2—Si2^v	86.77 (6)	Ba1^x—Si3—Ba2^vi	135.03 (3)
O5^vi—Ba2—Si2^v	126.65 (6)	Ba1—Si3—Ba2^vi	64.161 (19)
O1—Ba2—Si2^v	87.60 (6)	O8—Si4—O1	109.00 (16)
O3—Ba2—Si2^iv	103.01 (6)	O8—Si4—O3	109.58 (16)
O12^iv—Ba2—Si2^iv	27.60 (6)	O1—Si4—O3	111.10 (15)
O9^v—Ba2—Si2^iv	106.62 (6)	O8—Si4—O6	107.57 (15)
O8^v—Ba2—Si2^iv	138.83 (7)	O1—Si4—O6	111.85 (15)
O12^v—Ba2—Si2^iv	77.53 (6)	O3—Si4—O6	107.65 (15)
O13^vi—Ba2—Si2^iv	114.36 (6)	O8—Si4—Ce2^vi	58.17 (11)
O5^iv—Ba2—Si2^iv	29.35 (6)	O1—Si4—Ce2^vi	130.27 (11)
O7^vi—Ba2—Si2^iv	110.71 (6)	O3—Si4—Ce2^vi	51.59 (10)
O5^vi—Ba2—Si2^iv	73.93 (6)	O6—Si4—Ce2^vi	117.83 (11)
O1—Ba2—Si2^iv	73.09 (5)	O8—Si4—Ce2^x	59.45 (11)
Si2^v—Ba2—Si2^iv	95.56 (3)	O1—Si4—Ce2^x	50.12 (10)
O11—Ce1—O9^vii	159.49 (11)	O3—Si4—Ce2^x	119.97 (11)
O11—Ce1—O4	97.12 (10)	O6—Si4—Ce2^x	132.34 (11)
O9^vii—Ce1—O4	77.35 (9)	Ce2^vi—Si4—Ce2^x	94.57 (3)
O11—Ce1—O1^viii	84.34 (10)	O8—Si4—Ba2	107.35 (11)
O9^vii—Ce1—O1^viii	92.01 (9)	O1—Si4—Ba2	63.27 (11)
O4—Ce1—O1^viii	153.45 (9)	O3—Si4—Ba2	51.79 (10)
O11—Ce1—O4^vii	82.16 (10)	O6—Si4—Ba2	144.10 (11)
O9^vii—Ce1—O4^vii	77.37 (9)	Ce2^vi—Si4—Ba2	75.06 (2)
O4—Ce1—O4^vii	70.45 (11)	Ce2^x—Si4—Ba2	74.34 (2)
O1^viii—Ce1—O4^vii	83.58 (9)	O8—Si4—Ba1^x	64.09 (11)
O11—Ce1—O2^i	93.55 (10)	O1—Si4—Ba1^x	99.32 (11)
O9^vii—Ce1—O2^i	104.76 (9)	O3—Si4—Ba1^x	148.91 (11)
O4—Ce1—O2^i	132.62 (9)	O6—Si4—Ba1^x	52.43 (10)
O1^viii—Ce1—O2^i	73.41 (10)	Ce2^vi—Si4—Ba1^x	112.05 (3)
O4^vii—Ce1—O2^i	156.92 (9)	Ce2^x—Si4—Ba1^x	84.34 (2)
O11—Ce1—O7^i	131.37 (10)	Ba2—Si4—Ba1^x	158.15 (3)
O9^vii—Ce1—O7^i	67.59 (9)	Si4—O1—Ce1^viii	138.86 (16)
O4—Ce1—O7^i	79.27 (9)	Si4—O1—Ce2^x	99.99 (13)
O1^viii—Ce1—O7^i	119.38 (9)	Ce1^viii—O1—Ce2^x	105.89 (11)
O4^vii—Ce1—O7^i	137.76 (9)	Si4—O1—Ba2	88.92 (12)
O2^i—Ce1—O7^i	59.72 (9)	Ce1^viii—O1—Ba2	121.12 (10)
O11—Ce1—O7	70.33 (10)	Ce2^x—O1—Ba2	91.71 (8)
O9^vii—Ce1—O7	120.76 (9)	Si1—O2—Ce2^ix	136.12 (16)
O4—Ce1—O7	59.24 (9)	Si1—O2—Ce1^i	99.65 (13)
O1^viii—Ce1—O7	143.28 (9)	Ce2^ix—O2—Ce1^i	106.05 (11)
O4^vii—Ce1—O7	117.31 (9)	Si1—O2—Ba1^i	90.32 (12)
O2^i—Ce1—O7	81.86 (9)	Ce2^ix—O2—Ba1^i	120.04 (10)
O7^i—Ce1—O7	66.42 (10)	Ce1^i—O2—Ba1^i	97.55 (9)
O11—Ce1—Si1^i	112.57 (8)	Si4—O3—Ce2	128.51 (15)
O9^vii—Ce1—Si1^i	87.92 (7)	Si4—O3—Ce2^vi	98.15 (13)
O4—Ce1—Si1^i	105.55 (7)	Ce2—O3—Ce2^vi	111.04 (10)
O1^viii—Ce1—Si1^i	98.19 (7)	Si4—O3—Ba2	100.71 (13)
O4^vii—Ce1—Si1^i	165.25 (7)	Ce2—O3—Ba2	114.04 (10)
O2^i—Ce1—Si1^i	29.74 (7)	Ce2^vi—O3—Ba2	100.00 (9)
O7^i—Ce1—Si1^i	30.18 (6)	Si1—O4—Ce1	102.52 (13)
O7—Ce1—Si1^i	69.42 (6)	Si1—O4—Ce1^vii	129.27 (15)
O11—Ce1—Si1	82.72 (8)	Ce1—O4—Ce1^vii	109.55 (11)
O9^vii—Ce1—Si1	99.73 (7)	Si1—O4—Ba1^i	103.42 (13)
O4—Ce1—Si1	29.27 (7)	Ce1—O4—Ba1^i	99.43 (9)
O1^viii—Ce1—Si1	167.01 (7)	Ce1^vii—O4—Ba1^i	108.67 (10)
O4^vii—Ce1—Si1	93.52 (7)	Si2—O5—Si1	124.05 (18)
O2^i—Ce1—Si1	108.49 (7)	Si2—O5—Ba2^ix	89.00 (11)
O7^i—Ce1—Si1	70.85 (7)	Si1—O5—Ba2^ix	138.38 (14)
O7—Ce1—Si1	29.98 (6)	Si2—O5—Ba2^vi	94.24 (11)
Si1^i—Ce1—Si1	87.85 (3)	Si1—O5—Ba2^vi	92.76 (12)
O11—Ce1—Ce2^iii	89.41 (8)	Ba2^ix—O5—Ba2^vi	110.84 (9)
O9^vii—Ce1—Ce2^iii	99.86 (7)	Si4—O6—Si3	123.66 (18)
O4—Ce1—Ce2^iii	167.88 (6)	Si4—O6—Ba1^iii	135.50 (14)
O1^viii—Ce1—Ce2^iii	37.20 (7)	Si3—O6—Ba1^iii	91.24 (12)
O4^vii—Ce1—Ce2^iii	120.78 (7)	Si4—O6—Ba1^x	101.36 (12)
O2^i—Ce1—Ce2^iii	36.22 (6)	Si3—O6—Ba1^x	95.66 (12)
O7^i—Ce1—Ce2^iii	88.74 (6)	Ba1^iii—O6—Ba1^x	101.49 (8)
O7—Ce1—Ce2^iii	114.21 (6)	Si1—O7—Ce1^i	92.83 (13)
Si1^i—Ce1—Ce2^iii	62.41 (2)	Si1—O7—Ce1	88.22 (13)
Si1—Ce1—Ce2^iii	143.45 (2)	Ce1^i—O7—Ce1	113.58 (10)
O11—Ce1—Ba1^i	138.35 (8)	Si1—O7—Ba1	176.04 (16)
O9^vii—Ce1—Ba1^i	44.23 (7)	Ce1^i—O7—Ba1	89.55 (8)
O4—Ce1—Ba1^i	42.70 (6)	Ce1—O7—Ba1	93.74 (9)
O1^viii—Ce1—Ba1^i	135.77 (7)	Si1—O7—Ba2^vi	94.18 (13)
O4^vii—Ce1—Ba1^i	90.68 (6)	Ce1^i—O7—Ba2^vi	97.79 (9)
O2^i—Ce1—Ba1^i	106.97 (6)	Ce1—O7—Ba2^vi	148.40 (11)
O7^i—Ce1—Ba1^i	47.65 (6)	Ba1—O7—Ba2^vi	82.35 (7)
O7—Ce1—Ba1^i	77.08 (6)	Si4—O8—Ce2^vi	91.40 (13)
Si1^i—Ce1—Ba1^i	77.80 (2)	Si4—O8—Ce2^x	90.06 (12)
Si1—Ce1—Ba1^i	56.698 (19)	Ce2^vi—O8—Ce2^x	118.37 (10)
Ce2^iii—Ce1—Ba1^i	128.165 (8)	Si4—O8—Ba2^v	169.47 (17)
O2^iv—Ce2—O1^ii	74.62 (10)	Ce2^vi—O8—Ba2^v	94.46 (9)
O2^iv—Ce2—O10	75.54 (10)	Ce2^x—O8—Ba2^v	94.83 (9)
O1^ii—Ce2—O10	89.16 (9)	Si4—O8—Ba1^x	89.81 (12)
O2^iv—Ce2—O12^vi	78.17 (9)	Ce2^vi—O8—Ba1^x	142.43 (11)
O1^ii—Ce2—O12^vi	75.54 (9)	Ce2^x—O8—Ba1^x	99.17 (9)
O10—Ce2—O12^vi	152.31 (10)	Ba2^v—O8—Ba1^x	80.22 (7)
O2^iv—Ce2—O3	84.63 (9)	Si2—O9—Ce1^vii	127.51 (15)
O1^ii—Ce2—O3	159.21 (9)	Si2—O9—Ba2^v	96.40 (12)
O10—Ce2—O3	86.96 (9)	Ce1^vii—O9—Ba2^v	112.05 (10)
O12^vi—Ce2—O3	99.15 (9)	Si2—O9—Ba1^x	125.95 (15)
O2^iv—Ce2—O3^vi	150.77 (9)	Ce1^vii—O9—Ba1^x	98.29 (9)
O1^ii—Ce2—O3^vi	131.52 (9)	Ba2^v—O9—Ba1^x	89.81 (8)
O10—Ce2—O3^vi	90.28 (9)	Si3—O10—Ce2	118.56 (15)
O12^vi—Ce2—O3^vi	117.18 (9)	Si3—O10—Ba1	112.84 (14)
O3—Ce2—O3^vi	68.96 (10)	Ce2—O10—Ba1	126.81 (12)
O2^iv—Ce2—O8^vi	147.39 (9)	Si3—O11—Ce1	146.62 (18)
O1^ii—Ce2—O8^vi	81.87 (9)	Si3—O11—Ba1^x	93.84 (14)
O10—Ce2—O8^vi	126.99 (9)	Ce1—O11—Ba1^x	102.16 (11)
O12^vi—Ce2—O8^vi	74.24 (9)	Si3—O11—Ba1^iii	79.30 (12)
O3—Ce2—O8^vi	116.49 (9)	Ce1—O11—Ba1^iii	128.76 (12)
O3^vi—Ce2—O8^vi	60.61 (9)	Ba1^x—O11—Ba1^iii	91.02 (8)
O2^iv—Ce2—O8^ii	121.14 (9)	Si2—O12—Ce2^vi	113.17 (14)
O1^ii—Ce2—O8^ii	60.13 (9)	Si2—O12—Ba2^ix	98.76 (13)
O10—Ce2—O8^ii	68.66 (9)	Ce2^vi—O12—Ba2^ix	138.97 (11)
O12^vi—Ce2—O8^ii	119.73 (9)	Si2—O12—Ba2^v	92.91 (13)
O3—Ce2—O8^ii	135.84 (9)	Ce2^vi—O12—Ba2^v	96.67 (9)
O3^vi—Ce2—O8^ii	74.73 (9)	Ba2^ix—O12—Ba2^v	107.11 (9)
O8^vi—Ce2—O8^ii	61.63 (11)	Si3—O13—Si2	135.08 (18)
O2^iv—Ce2—Si4^vi	171.83 (7)	Si3—O13—Ba2^vi	109.05 (13)
O1^ii—Ce2—Si4^vi	108.50 (7)	Si2—O13—Ba2^vi	100.11 (12)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x−1, y, z; (iii) −x+1, −y+1, −z+1; (iv) x, y+1, z; (v) −x+2, −y+1, −z+2; (vi) −x+1, −y+1, −z+2; (vii) −x+2, −y, −z+1; (viii) −x+2, −y+1, −z+1; (ix) x, y−1, z; (x) x+1, y, z.

(Pr)

Crystal data

Ba2O13Pr2Si4	Z = 2
Mr = 876.86	F(000) = 780
Triclinic, P1	Dx = 5.020 Mg m^−3
a = 6.6880 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 8.9530 (4) Å	Cell parameters from 9962 reflections
c = 10.1324 (4) Å	θ = 3.0–28.3°
α = 86.5023 (13)°	µ = 15.43 mm^−1
β = 73.5481 (13)°	T = 300 K
γ = 86.2929 (15)°	Block, green
V = 580.07 (4) Å^3	0.07 × 0.06 × 0.06 mm

Data collection

Bruker Photon 100 diffractometer	2147 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.031
φ and ω scans	θmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan SADABS, Bruker	h = −8→8
Tmin = 0.774, Tmax = 1.000	k = −11→11
11990 measured reflections	l = −12→11
2269 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.021	Secondary atom site location: difference Fourier map
wR(F^2) = 0.051	w = 1/[σ^2(Fo^2) + (0.0427P)^2 + 0.3644P] where P = (Fo^2 + 2Fc^2)/3
S = 1.17	(Δ/σ)max = 0.001
2269 reflections	Δρmax = 0.86 e Å^−3
190 parameters	Δρmin = −2.14 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.23060 (4)	0.33073 (3)	0.55602 (3)	0.00879 (9)
Ba2	0.75491 (4)	0.82697 (3)	1.07556 (3)	0.00663 (8)
Pr1	0.81448 (3)	0.10886 (2)	0.39470 (2)	0.00403 (8)
Pr2	0.30991 (4)	0.62219 (2)	0.89810 (2)	0.00470 (8)
Si1	0.60516 (18)	−0.05981 (13)	0.68737 (12)	0.0040 (2)
Si2	0.80098 (18)	0.12217 (13)	0.84505 (12)	0.0039 (2)
Si3	0.67880 (19)	0.38591 (13)	0.67647 (12)	0.0047 (2)
Si4	0.88985 (18)	0.56690 (13)	0.82303 (12)	0.0040 (2)
O1	1.0269 (5)	0.7142 (3)	0.7971 (3)	0.0075 (6)
O2	0.4706 (5)	−0.2074 (3)	0.7077 (3)	0.0082 (6)
O3	0.6645 (5)	0.5952 (3)	0.9360 (3)	0.0073 (6)
O4	0.8282 (5)	−0.0867 (3)	0.5743 (3)	0.0054 (6)
O5	0.6516 (5)	−0.0157 (3)	0.8339 (3)	0.0053 (6)
O6	0.8453 (5)	0.5158 (3)	0.6797 (3)	0.0066 (6)
O7	0.4712 (5)	0.0758 (3)	0.6341 (3)	0.0103 (7)
O8	1.0182 (5)	0.4291 (3)	0.8781 (3)	0.0108 (7)
O9	1.0274 (5)	0.1054 (3)	0.7403 (3)	0.0081 (6)
O10	0.4495 (5)	0.4605 (3)	0.7012 (3)	0.0119 (7)
O11	0.7830 (5)	0.3160 (3)	0.5313 (3)	0.0141 (7)
O12	0.8048 (5)	0.1285 (3)	1.0016 (3)	0.0072 (6)
O13	0.6678 (4)	0.2737 (3)	0.8127 (3)	0.0064 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.01098 (15)	0.00706 (14)	0.00949 (15)	−0.00148 (10)	−0.00467 (11)	0.00039 (10)
Ba2	0.00573 (14)	0.00606 (14)	0.00867 (14)	−0.00025 (10)	−0.00284 (11)	−0.00097 (10)
Pr1	0.00378 (13)	0.00355 (13)	0.00507 (13)	−0.00003 (9)	−0.00177 (10)	−0.00033 (9)
Pr2	0.00444 (13)	0.00414 (13)	0.00543 (13)	0.00033 (9)	−0.00157 (10)	0.00080 (9)
Si1	0.0038 (6)	0.0045 (5)	0.0037 (5)	−0.0015 (4)	−0.0008 (5)	−0.0007 (4)
Si2	0.0036 (6)	0.0036 (5)	0.0041 (5)	−0.0011 (4)	−0.0003 (5)	−0.0003 (4)
Si3	0.0060 (6)	0.0036 (5)	0.0046 (6)	−0.0011 (4)	−0.0015 (5)	−0.0009 (4)
Si4	0.0035 (6)	0.0044 (5)	0.0044 (6)	−0.0014 (4)	−0.0013 (5)	−0.0006 (4)
O1	0.0083 (16)	0.0073 (15)	0.0081 (15)	−0.0035 (12)	−0.0039 (13)	0.0013 (12)
O2	0.0088 (16)	0.0076 (15)	0.0087 (15)	−0.0049 (12)	−0.0026 (13)	0.0010 (12)
O3	0.0058 (15)	0.0090 (15)	0.0066 (15)	−0.0018 (12)	−0.0007 (12)	−0.0002 (12)
O4	0.0039 (15)	0.0076 (15)	0.0046 (14)	−0.0003 (11)	−0.0008 (12)	−0.0016 (11)
O5	0.0046 (15)	0.0063 (14)	0.0055 (15)	−0.0036 (11)	−0.0014 (12)	−0.0010 (11)
O6	0.0068 (15)	0.0095 (15)	0.0045 (14)	−0.0041 (12)	−0.0025 (12)	−0.0006 (11)
O7	0.0098 (16)	0.0077 (15)	0.0149 (17)	0.0027 (12)	−0.0065 (13)	−0.0012 (12)
O8	0.0119 (16)	0.0090 (15)	0.0138 (16)	0.0019 (12)	−0.0079 (14)	−0.0009 (12)
O9	0.0085 (15)	0.0074 (15)	0.0081 (15)	−0.0001 (12)	−0.0010 (13)	−0.0033 (11)
O10	0.0112 (17)	0.0083 (15)	0.0187 (17)	0.0020 (12)	−0.0077 (14)	−0.0053 (12)
O11	0.0197 (18)	0.0103 (16)	0.0100 (16)	−0.0025 (13)	0.0013 (14)	−0.0062 (12)
O12	0.0092 (16)	0.0076 (15)	0.0049 (14)	−0.0014 (12)	−0.0021 (12)	−0.0002 (11)
O13	0.0047 (14)	0.0056 (14)	0.0071 (15)	0.0008 (11)	0.0006 (12)	0.0015 (11)

Geometric parameters (Å, º)

Ba1—O10	2.703 (3)	Si1—Pr1^i	3.2073 (12)
Ba1—O4^i	2.725 (3)	Si1—Ba1^i	3.4673 (12)
Ba1—O9^ii	2.804 (3)	Si1—Ba2^vi	3.5497 (12)
Ba1—O6^iii	2.837 (3)	Si2—O9	1.588 (3)
Ba1—O7	2.907 (3)	Si2—O12	1.598 (3)
Ba1—O6^ii	2.971 (3)	Si2—O13	1.642 (3)
Ba1—O2^i	3.066 (3)	Si2—O5	1.666 (3)
Ba1—O11^ii	3.086 (3)	Si2—Ba2^iv	3.3540 (12)
Ba1—O11^iii	3.234 (3)	Si2—Ba2^ix	3.3881 (12)
Ba1—O8^ii	3.318 (3)	Si2—Pr2^vi	3.4605 (12)
Ba1—Si3^iii	3.3187 (12)	Si2—Ba2^vi	3.5788 (12)
Ba1—Si1^i	3.4673 (12)	Si3—O11	1.586 (3)
Ba2—O8^iv	2.757 (3)	Si3—O10	1.591 (3)
Ba2—O3	2.771 (3)	Si3—O13	1.644 (3)
Ba2—O12^v	2.773 (3)	Si3—O6	1.670 (3)
Ba2—O9^iv	2.785 (3)	Si3—Ba1^iii	3.3187 (12)
Ba2—O12^iv	2.872 (3)	Si3—Ba1^x	3.5553 (12)
Ba2—O13^vi	2.912 (3)	Si3—Ba2^vi	3.7896 (12)
Ba2—O5^v	2.977 (3)	Si4—O8	1.619 (3)
Ba2—O5^vi	3.045 (3)	Si4—O1	1.620 (3)
Ba2—O7^vi	3.053 (3)	Si4—O3	1.629 (3)
Ba2—O1	3.081 (3)	Si4—O6	1.658 (3)
Ba2—Si2^iv	3.3540 (12)	Si4—Pr2^x	3.1863 (12)
Ba2—Si2^v	3.3881 (12)	Si4—Pr2^vi	3.1946 (12)
Pr1—O11	2.345 (3)	Si4—Ba1^x	3.6832 (12)
Pr1—O9^vii	2.431 (3)	O1—Pr1^viii	2.467 (3)
Pr1—O4	2.463 (3)	O1—Pr2^x	2.471 (3)
Pr1—O1^viii	2.467 (3)	O2—Pr2^ix	2.425 (3)
Pr1—O4^vii	2.491 (3)	O2—Pr1^i	2.506 (3)
Pr1—O2^i	2.506 (3)	O2—Ba1^i	3.066 (3)
Pr1—O7^i	2.693 (3)	O3—Pr2^vi	2.522 (3)
Pr1—O7	2.844 (3)	O4—Pr1^vii	2.491 (3)
Pr1—Si1^i	3.2072 (12)	O4—Ba1^i	2.725 (3)
Pr1—Si1	3.2264 (12)	O5—Ba2^ix	2.978 (3)
Pr1—Pr2^iii	3.9445 (3)	O5—Ba2^vi	3.045 (3)
Pr1—Ba1^i	3.9570 (4)	O6—Ba1^iii	2.837 (3)
Pr2—O2^v	2.425 (3)	O6—Ba1^x	2.971 (3)
Pr2—O10	2.463 (3)	O7—Pr1^i	2.693 (3)
Pr2—O1^ii	2.471 (3)	O7—Ba2^vi	3.053 (3)
Pr2—O12^vi	2.493 (3)	O8—Pr2^vi	2.711 (3)
Pr2—O3	2.502 (3)	O8—Pr2^x	2.746 (3)
Pr2—O3^vi	2.522 (3)	O8—Ba2^iv	2.757 (3)
Pr2—O8^vi	2.711 (3)	O8—Ba1^x	3.318 (3)
Pr2—O8^ii	2.746 (3)	O9—Pr1^vii	2.431 (3)
Pr2—Si4^ii	3.1862 (12)	O9—Ba2^iv	2.785 (3)
Pr2—Si4^vi	3.1947 (12)	O9—Ba1^x	2.804 (3)
Pr2—Si2^vi	3.4605 (12)	O11—Ba1^x	3.086 (3)
Pr2—Pr1^iii	3.9445 (3)	O11—Ba1^iii	3.234 (3)
Si1—O4	1.617 (3)	O12—Pr2^vi	2.493 (3)
Si1—O2	1.617 (3)	O12—Ba2^ix	2.773 (3)
Si1—O7	1.619 (3)	O12—Ba2^iv	2.872 (3)
Si1—O5	1.675 (3)	O13—Ba2^vi	2.912 (3)
O10—Ba1—O4^i	148.68 (9)	O1^ii—Pr2—Si4^ii	30.03 (7)
O10—Ba1—O9^ii	103.11 (9)	O12^vi—Pr2—Si4^ii	96.37 (7)
O4^i—Ba1—O9^ii	67.42 (9)	O3—Pr2—Si4^ii	164.53 (7)
O10—Ba1—O6^iii	119.87 (9)	O3^vi—Pr2—Si4^ii	102.81 (7)
O4^i—Ba1—O6^iii	82.18 (8)	O8^vi—Pr2—Si4^ii	66.52 (7)
O9^ii—Ba1—O6^iii	133.70 (9)	O8^ii—Pr2—Si4^ii	30.54 (6)
O10—Ba1—O7	78.08 (9)	O2^v—Pr2—Si4^vi	171.69 (8)
O4^i—Ba1—O7	71.38 (9)	O10—Pr2—Si4^vi	112.03 (8)
O9^ii—Ba1—O7	60.00 (9)	O1^ii—Pr2—Si4^vi	108.48 (7)
O6^iii—Ba1—O7	141.22 (9)	O12^vi—Pr2—Si4^vi	95.10 (7)
O10—Ba1—O6^ii	92.53 (9)	O3—Pr2—Si4^vi	91.73 (7)
O4^i—Ba1—O6^ii	114.96 (8)	O3^vi—Pr2—Si4^vi	30.30 (7)
O9^ii—Ba1—O6^ii	83.95 (8)	O8^vi—Pr2—Si4^vi	30.44 (7)
O6^iii—Ba1—O6^ii	78.12 (9)	O8^ii—Pr2—Si4^vi	66.03 (7)
O7—Ba1—O6^ii	138.66 (8)	Si4^ii—Pr2—Si4^vi	85.35 (3)
O10—Ba1—O2^i	109.79 (9)	O2^v—Pr2—Si2^vi	97.33 (7)
O4^i—Ba1—O2^i	54.15 (8)	O10—Pr2—Si2^vi	169.82 (8)
O9^ii—Ba1—O2^i	112.97 (8)	O1^ii—Pr2—Si2^vi	95.96 (7)
O6^iii—Ba1—O2^i	69.58 (8)	O12^vi—Pr2—Si2^vi	25.01 (7)
O7—Ba1—O2^i	71.96 (8)	O3—Pr2—Si2^vi	85.15 (7)
O6^ii—Ba1—O2^i	146.82 (8)	O3^vi—Pr2—Si2^vi	92.55 (7)
O10—Ba1—O11^ii	141.44 (9)	O8^vi—Pr2—Si2^vi	62.56 (7)
O4^i—Ba1—O11^ii	66.06 (8)	O8^ii—Pr2—Si2^vi	121.33 (7)
O9^ii—Ba1—O11^ii	71.14 (9)	Si4^ii—Pr2—Si2^vi	108.60 (3)
O6^iii—Ba1—O11^ii	64.73 (9)	Si4^vi—Pr2—Si2^vi	74.79 (3)
O7—Ba1—O11^ii	124.21 (9)	O2^v—Pr2—Pr1^iii	37.59 (7)
O6^ii—Ba1—O11^ii	49.40 (8)	O10—Pr2—Pr1^iii	80.92 (7)
O2^i—Ba1—O11^ii	107.27 (8)	O1^ii—Pr2—Pr1^iii	36.94 (7)
O10—Ba1—O11^iii	74.41 (9)	O12^vi—Pr2—Pr1^iii	72.80 (6)
O4^i—Ba1—O11^iii	130.97 (8)	O3—Pr2—Pr1^iii	122.45 (7)
O9^ii—Ba1—O11^iii	144.83 (8)	O3^vi—Pr2—Pr1^iii	165.31 (7)
O6^iii—Ba1—O11^iii	48.79 (8)	O8^vi—Pr2—Pr1^iii	115.46 (6)
O7—Ba1—O11^iii	146.83 (9)	O8^ii—Pr2—Pr1^iii	90.96 (6)
O6^ii—Ba1—O11^iii	61.43 (8)	Si4^ii—Pr2—Pr1^iii	64.01 (2)
O2^i—Ba1—O11^iii	100.35 (8)	Si4^vi—Pr2—Pr1^iii	144.72 (2)
O11^ii—Ba1—O11^iii	88.96 (8)	Si2^vi—Pr2—Pr1^iii	97.80 (2)
O10—Ba1—O8^ii	57.69 (9)	O4—Si1—O2	110.26 (16)
O4^i—Ba1—O8^ii	130.18 (8)	O4—Si1—O7	109.95 (17)
O9^ii—Ba1—O8^ii	64.20 (8)	O2—Si1—O7	106.85 (17)
O6^iii—Ba1—O8^ii	124.89 (8)	O4—Si1—O5	107.69 (16)
O7—Ba1—O8^ii	93.89 (8)	O2—Si1—O5	112.13 (16)
O6^ii—Ba1—O8^ii	49.34 (8)	O7—Si1—O5	109.97 (16)
O2^i—Ba1—O8^ii	163.56 (8)	O4—Si1—Pr1^i	119.11 (12)
O11^ii—Ba1—O8^ii	87.46 (8)	O2—Si1—Pr1^i	50.33 (11)
O11^iii—Ba1—O8^ii	86.87 (8)	O7—Si1—Pr1^i	57.00 (12)
O10—Ba1—Si3^iii	90.06 (7)	O5—Si1—Pr1^i	133.14 (12)
O4^i—Ba1—Si3^iii	107.21 (6)	O4—Si1—Pr1	48.19 (10)
O9^ii—Ba1—Si3^iii	161.74 (7)	O2—Si1—Pr1	124.81 (12)
O6^iii—Ba1—Si3^iii	30.20 (6)	O7—Si1—Pr1	61.77 (12)
O7—Ba1—Si3^iii	136.45 (7)	O5—Si1—Pr1	122.62 (11)
O6^ii—Ba1—Si3^iii	82.88 (6)	Pr1^i—Si1—Pr1	92.27 (3)
O2^i—Ba1—Si3^iii	73.19 (6)	O4—Si1—Ba1^i	49.99 (11)
O11^ii—Ba1—Si3^iii	90.66 (6)	O2—Si1—Ba1^i	62.17 (11)
O11^iii—Ba1—Si3^iii	27.98 (6)	O7—Si1—Ba1^i	111.05 (12)
O8^ii—Ba1—Si3^iii	114.85 (6)	O5—Si1—Ba1^i	138.25 (11)
O10—Ba1—Si1^i	129.36 (7)	Pr1^i—Si1—Ba1^i	77.89 (3)
O4^i—Ba1—Si1^i	27.03 (6)	Pr1—Si1—Ba1^i	72.38 (2)
O9^ii—Ba1—Si1^i	87.51 (6)	O4—Si1—Ba2^vi	150.43 (12)
O6^iii—Ba1—Si1^i	78.64 (6)	O2—Si1—Ba2^vi	99.31 (12)
O7—Ba1—Si1^i	64.83 (7)	O7—Si1—Ba2^vi	59.11 (12)
O6^ii—Ba1—Si1^i	138.07 (6)	O5—Si1—Ba2^vi	58.95 (11)
O2^i—Ba1—Si1^i	27.80 (6)	Pr1^i—Si1—Ba2^vi	79.76 (3)
O11^ii—Ba1—Si1^i	89.04 (6)	Pr1—Si1—Ba2^vi	113.54 (3)
O11^iii—Ba1—Si1^i	121.79 (6)	Ba1^i—Si1—Ba2^vi	157.12 (4)
O8^ii—Ba1—Si1^i	151.06 (6)	O9—Si2—O12	113.03 (17)
Si3^iii—Ba1—Si1^i	93.90 (3)	O9—Si2—O13	113.07 (16)
O8^iv—Ba2—O3	70.79 (9)	O12—Si2—O13	106.35 (16)
O8^iv—Ba2—O12^v	140.68 (9)	O9—Si2—O5	111.89 (16)
O3—Ba2—O12^v	130.98 (8)	O12—Si2—O5	108.61 (16)
O8^iv—Ba2—O9^iv	72.64 (9)	O13—Si2—O5	103.28 (15)
O3—Ba2—O9^iv	143.27 (8)	O9—Si2—Ba2^iv	55.62 (11)
O12^v—Ba2—O9^iv	81.54 (9)	O12—Si2—Ba2^iv	58.80 (11)
O8^iv—Ba2—O12^iv	68.00 (9)	O13—Si2—Ba2^iv	116.75 (12)
O3—Ba2—O12^iv	111.32 (9)	O5—Si2—Ba2^iv	139.88 (11)
O12^v—Ba2—O12^iv	73.05 (9)	O9—Si2—Ba2^ix	106.85 (11)
O9^iv—Ba2—O12^iv	56.00 (8)	O12—Si2—Ba2^ix	54.14 (11)
O8^iv—Ba2—O13^vi	100.30 (9)	O13—Si2—Ba2^ix	140.05 (11)
O3—Ba2—O13^vi	66.12 (8)	O5—Si2—Ba2^ix	61.49 (10)
O12^v—Ba2—O13^vi	118.10 (8)	Ba2^iv—Si2—Ba2^ix	84.58 (3)
O9^iv—Ba2—O13^vi	118.22 (8)	O9—Si2—Pr2^vi	121.00 (12)
O12^iv—Ba2—O13^vi	167.73 (8)	O12—Si2—Pr2^vi	41.28 (10)
O8^iv—Ba2—O5^v	136.42 (9)	O13—Si2—Pr2^vi	66.14 (11)
O3—Ba2—O5^v	76.84 (8)	O5—Si2—Pr2^vi	126.03 (11)
O12^v—Ba2—O5^v	54.76 (8)	Ba2^iv—Si2—Pr2^vi	72.16 (2)
O9^iv—Ba2—O5^v	135.54 (8)	Ba2^ix—Si2—Pr2^vi	92.31 (3)
O12^iv—Ba2—O5^v	98.91 (8)	O9—Si2—Ba2^vi	152.61 (12)
O13^vi—Ba2—O5^v	92.21 (8)	O12—Si2—Ba2^vi	94.25 (12)
O8^iv—Ba2—O5^vi	147.10 (9)	O13—Si2—Ba2^vi	53.28 (11)
O3—Ba2—O5^vi	105.06 (8)	O5—Si2—Ba2^vi	58.04 (10)
O12^v—Ba2—O5^vi	67.24 (8)	Ba2^iv—Si2—Ba2^vi	149.44 (4)
O9^iv—Ba2—O5^vi	103.67 (8)	Ba2^ix—Si2—Ba2^vi	90.70 (3)
O12^iv—Ba2—O5^vi	137.90 (8)	Pr2^vi—Si2—Ba2^vi	77.90 (2)
O13^vi—Ba2—O5^vi	51.57 (8)	O11—Si3—O10	116.96 (18)
O5^v—Ba2—O5^vi	69.18 (9)	O11—Si3—O13	116.30 (16)
O8^iv—Ba2—O7^vi	103.22 (8)	O10—Si3—O13	105.04 (16)
O3—Ba2—O7^vi	128.18 (9)	O11—Si3—O6	102.11 (17)
O12^v—Ba2—O7^vi	87.02 (8)	O10—Si3—O6	109.95 (16)
O9^iv—Ba2—O7^vi	58.39 (9)	O13—Si3—O6	105.91 (15)
O12^iv—Ba2—O7^vi	113.24 (8)	O11—Si3—Ba1^iii	73.04 (12)
O13^vi—Ba2—O7^vi	64.64 (8)	O10—Si3—Ba1^iii	79.55 (12)
O5^v—Ba2—O7^vi	119.75 (8)	O13—Si3—Ba1^iii	164.30 (12)
O5^vi—Ba2—O7^vi	52.52 (8)	O6—Si3—Ba1^iii	58.72 (10)
O8^iv—Ba2—O1	70.92 (9)	O11—Si3—Ba1^x	60.04 (13)
O3—Ba2—O1	54.31 (8)	O10—Si3—Ba1^x	161.15 (13)
O12^v—Ba2—O1	95.23 (8)	O13—Si3—Ba1^x	91.93 (11)
O9^iv—Ba2—O1	115.34 (8)	O6—Si3—Ba1^x	56.23 (11)
O12^iv—Ba2—O1	61.40 (8)	Ba1^iii—Si3—Ba1^x	81.94 (3)
O13^vi—Ba2—O1	119.51 (8)	O11—Si3—Ba1	77.77 (13)
O5^v—Ba2—O1	66.62 (8)	O10—Si3—Ba1	43.92 (11)
O5^vi—Ba2—O1	134.40 (8)	O13—Si3—Ba1	108.49 (11)
O7^vi—Ba2—O1	173.01 (8)	O6—Si3—Ba1	141.40 (11)
O8^iv—Ba2—Si2^iv	63.77 (7)	Ba1^iii—Si3—Ba1	85.37 (3)
O3—Ba2—Si2^iv	128.32 (7)	Ba1^x—Si3—Ba1	137.80 (4)
O12^v—Ba2—Si2^iv	79.45 (6)	O11—Si3—Ba2^vi	116.84 (13)
O9^iv—Ba2—Si2^iv	28.07 (6)	O10—Si3—Ba2^vi	63.97 (12)
O12^iv—Ba2—Si2^iv	28.41 (6)	O13—Si3—Ba2^vi	46.44 (11)
O13^vi—Ba2—Si2^iv	143.57 (6)	O6—Si3—Ba2^vi	139.07 (11)
O5^v—Ba2—Si2^iv	122.36 (6)	Ba1^iii—Si3—Ba2^vi	142.91 (4)
O5^vi—Ba2—Si2^iv	126.42 (6)	Ba1^x—Si3—Ba2^vi	134.82 (3)
O7^vi—Ba2—Si2^iv	86.37 (6)	Ba1—Si3—Ba2^vi	64.16 (2)
O1—Ba2—Si2^iv	87.53 (6)	O8—Si4—O1	108.72 (17)
O8^iv—Ba2—Si2^v	138.85 (7)	O8—Si4—O3	109.25 (17)
O3—Ba2—Si2^v	103.36 (6)	O1—Si4—O3	111.43 (16)
O12^v—Ba2—Si2^v	27.84 (6)	O8—Si4—O6	107.57 (16)
O9^iv—Ba2—Si2^v	106.20 (6)	O1—Si4—O6	112.08 (16)
O12^iv—Ba2—Si2^v	77.55 (6)	O3—Si4—O6	107.69 (16)
O13^vi—Ba2—Si2^v	114.67 (6)	O8—Si4—Pr2^x	59.51 (12)
O5^v—Ba2—Si2^v	29.44 (6)	O1—Si4—Pr2^x	49.73 (11)
O5^vi—Ba2—Si2^v	74.01 (6)	O3—Si4—Pr2^x	120.15 (12)
O7^vi—Ba2—Si2^v	110.77 (6)	O6—Si4—Pr2^x	132.13 (12)
O1—Ba2—Si2^v	73.22 (6)	O8—Si4—Pr2^vi	58.04 (12)
Si2^iv—Ba2—Si2^v	95.42 (3)	O1—Si4—Pr2^vi	130.00 (12)
O11—Pr1—O9^vii	159.60 (11)	O3—Si4—Pr2^vi	51.37 (11)
O11—Pr1—O4	97.25 (10)	O6—Si4—Pr2^vi	117.88 (12)
O9^vii—Pr1—O4	77.69 (10)	Pr2^x—Si4—Pr2^vi	94.65 (3)
O11—Pr1—O1^viii	84.26 (10)	O8—Si4—Ba2	107.17 (12)
O9^vii—Pr1—O1^viii	91.71 (10)	O1—Si4—Ba2	63.11 (11)
O4—Pr1—O1^viii	153.58 (10)	O3—Si4—Ba2	52.13 (11)
O11—Pr1—O4^vii	82.23 (11)	O6—Si4—Ba2	144.31 (12)
O9^vii—Pr1—O4^vii	77.45 (10)	Pr2^x—Si4—Ba2	74.27 (3)
O4—Pr1—O4^vii	70.48 (11)	Pr2^vi—Si4—Ba2	75.09 (3)
O1^viii—Pr1—O4^vii	83.69 (10)	O8—Si4—Ba1^x	64.27 (12)
O11—Pr1—O2^i	93.57 (11)	O1—Si4—Ba1^x	99.40 (12)
O9^vii—Pr1—O2^i	104.42 (10)	O3—Si4—Ba1^x	148.55 (12)
O4—Pr1—O2^i	132.70 (10)	O6—Si4—Ba1^x	52.20 (11)
O1^viii—Pr1—O2^i	73.18 (10)	Pr2^x—Si4—Ba1^x	84.40 (3)
O4^vii—Pr1—O2^i	156.81 (10)	Pr2^vi—Si4—Ba1^x	112.03 (3)
O11—Pr1—O7^i	131.43 (11)	Ba2—Si4—Ba1^x	158.14 (4)
O9^vii—Pr1—O7^i	67.56 (10)	Si4—O1—Pr1^viii	138.47 (17)
O4—Pr1—O7^i	79.15 (9)	Si4—O1—Pr2^x	100.24 (14)
O1^viii—Pr1—O7^i	119.36 (10)	Pr1^viii—O1—Pr2^x	106.05 (11)
O4^vii—Pr1—O7^i	137.64 (9)	Si4—O1—Ba2	88.92 (13)
O2^i—Pr1—O7^i	59.85 (9)	Pr1^viii—O1—Ba2	121.12 (11)
O11—Pr1—O7	70.51 (10)	Pr2^x—O1—Ba2	91.94 (9)
O9^vii—Pr1—O7	120.97 (9)	Si1—O2—Pr2^ix	136.22 (17)
O4—Pr1—O7	59.38 (9)	Si1—O2—Pr1^i	99.88 (14)
O1^viii—Pr1—O7	143.13 (9)	Pr2^ix—O2—Pr1^i	106.23 (11)
O4^vii—Pr1—O7	117.56 (9)	Si1—O2—Ba1^i	90.02 (13)
O2^i—Pr1—O7	81.79 (9)	Pr2^ix—O2—Ba1^i	119.97 (11)
O7^i—Pr1—O7	66.23 (11)	Pr1^i—O2—Ba1^i	97.33 (9)
O11—Pr1—Si1^i	112.57 (9)	Si4—O3—Pr2	128.52 (16)
O9^vii—Pr1—Si1^i	87.78 (8)	Si4—O3—Pr2^vi	98.33 (14)
O4—Pr1—Si1^i	105.52 (7)	Pr2—O3—Pr2^vi	111.35 (11)
O1^viii—Pr1—Si1^i	98.07 (7)	Si4—O3—Ba2	100.21 (14)
O4^vii—Pr1—Si1^i	165.18 (7)	Pr2—O3—Ba2	114.06 (11)
O2^i—Pr1—Si1^i	29.78 (7)	Pr2^vi—O3—Ba2	99.98 (10)
O7^i—Pr1—Si1^i	30.27 (7)	Si1—O4—Pr1	102.51 (14)
O7—Pr1—Si1^i	69.22 (7)	Si1—O4—Pr1^vii	129.49 (16)
O11—Pr1—Si1	82.92 (8)	Pr1—O4—Pr1^vii	109.52 (11)
O9^vii—Pr1—Si1	100.00 (7)	Si1—O4—Ba1^i	102.98 (14)
O4—Pr1—Si1	29.29 (7)	Pr1—O4—Ba1^i	99.26 (10)
O1^viii—Pr1—Si1	167.15 (7)	Pr1^vii—O4—Ba1^i	108.97 (10)
O4^vii—Pr1—Si1	93.64 (7)	Si2—O5—Si1	123.98 (18)
O2^i—Pr1—Si1	108.53 (7)	Si2—O5—Ba2^ix	89.07 (12)
O7^i—Pr1—Si1	70.64 (7)	Si1—O5—Ba2^ix	138.24 (15)
O7—Pr1—Si1	30.09 (6)	Si2—O5—Ba2^vi	94.31 (12)
Si1^i—Pr1—Si1	87.73 (3)	Si1—O5—Ba2^vi	92.93 (12)
O11—Pr1—Pr2^iii	89.24 (8)	Ba2^ix—O5—Ba2^vi	110.82 (9)
O9^vii—Pr1—Pr2^iii	99.55 (7)	Si4—O6—Si3	123.57 (18)
O4—Pr1—Pr2^iii	167.94 (7)	Si4—O6—Ba1^iii	135.17 (15)
O1^viii—Pr1—Pr2^iii	37.01 (7)	Si3—O6—Ba1^iii	91.08 (12)
O4^vii—Pr1—Pr2^iii	120.70 (7)	Si4—O6—Ba1^x	101.64 (13)
O2^i—Pr1—Pr2^iii	36.18 (7)	Si3—O6—Ba1^x	95.92 (13)
O7^i—Pr1—Pr2^iii	88.93 (6)	Ba1^iii—O6—Ba1^x	101.88 (9)
O7—Pr1—Pr2^iii	114.07 (6)	Si1—O7—Pr1^i	92.73 (14)
Si1^i—Pr1—Pr2^iii	62.50 (2)	Si1—O7—Pr1	88.13 (13)
Si1—Pr1—Pr2^iii	143.42 (2)	Pr1^i—O7—Pr1	113.77 (11)
O11—Pr1—Ba1^i	138.53 (8)	Si1—O7—Ba1	175.86 (18)
O9^vii—Pr1—Ba1^i	44.57 (7)	Pr1^i—O7—Ba1	89.83 (9)
O4—Pr1—Ba1^i	42.83 (7)	Pr1—O7—Ba1	93.82 (9)
O1^viii—Pr1—Ba1^i	135.78 (7)	Si1—O7—Ba2^vi	93.83 (13)
O4^vii—Pr1—Ba1^i	90.91 (7)	Pr1^i—O7—Ba2^vi	97.93 (10)
O2^i—Pr1—Ba1^i	106.73 (7)	Pr1—O7—Ba2^vi	148.13 (12)
O7^i—Pr1—Ba1^i	47.29 (6)	Ba1—O7—Ba2^vi	82.58 (8)
O7—Pr1—Ba1^i	76.98 (6)	Si4—O8—Pr2^vi	91.52 (14)
Si1^i—Pr1—Ba1^i	77.52 (2)	Si4—O8—Pr2^x	89.95 (14)
Si1—Pr1—Ba1^i	56.63 (2)	Pr2^vi—O8—Pr2^x	118.56 (11)
Pr2^iii—Pr1—Ba1^i	128.055 (8)	Si4—O8—Ba2^iv	169.25 (18)
O2^v—Pr2—O10	75.44 (10)	Pr2^vi—O8—Ba2^iv	94.46 (9)
O2^v—Pr2—O1^ii	74.52 (11)	Pr2^x—O8—Ba2^iv	95.00 (10)
O10—Pr2—O1^ii	89.07 (10)	Si4—O8—Ba1^x	89.66 (13)
O2^v—Pr2—O12^vi	77.99 (10)	Pr2^vi—O8—Ba1^x	142.32 (12)
O10—Pr2—O12^vi	152.08 (10)	Pr2^x—O8—Ba1^x	99.10 (10)
O1^ii—Pr2—O12^vi	75.67 (10)	Ba2^iv—O8—Ba1^x	80.16 (8)
O2^v—Pr2—O3	84.89 (10)	Si2—O9—Pr1^vii	127.99 (16)
O10—Pr2—O3	87.04 (10)	Si2—O9—Ba2^iv	96.31 (13)
O1^ii—Pr2—O3	159.37 (10)	Pr1^vii—O9—Ba2^iv	112.47 (11)
O12^vi—Pr2—O3	99.03 (10)	Si2—O9—Ba1^x	125.70 (15)
O2^v—Pr2—O3^vi	150.85 (10)	Pr1^vii—O9—Ba1^x	97.95 (10)
O10—Pr2—O3^vi	90.68 (10)	Ba2^iv—O9—Ba1^x	89.49 (9)
O1^ii—Pr2—O3^vi	131.69 (10)	Si3—O10—Pr2	118.75 (16)
O12^vi—Pr2—O3^vi	116.97 (9)	Si3—O10—Ba1	111.98 (15)
O3—Pr2—O3^vi	68.65 (11)	Pr2—O10—Ba1	127.21 (12)
O2^v—Pr2—O8^vi	147.19 (10)	Si3—O11—Pr1	146.71 (19)
O10—Pr2—O8^vi	127.15 (10)	Si3—O11—Ba1^x	93.51 (15)
O1^ii—Pr2—O8^vi	81.79 (10)	Pr1—O11—Ba1^x	102.09 (11)
O12^vi—Pr2—O8^vi	74.33 (9)	Si3—O11—Ba1^iii	78.98 (12)
O3—Pr2—O8^vi	116.41 (9)	Pr1—O11—Ba1^iii	129.19 (12)
O3^vi—Pr2—O8^vi	60.67 (9)	Ba1^x—O11—Ba1^iii	91.04 (8)
O2^v—Pr2—O8^ii	121.37 (10)	Si2—O12—Pr2^vi	113.71 (14)
O10—Pr2—O8^ii	68.85 (10)	Si2—O12—Ba2^ix	98.02 (13)
O1^ii—Pr2—O8^ii	60.35 (9)	Pr2^vi—O12—Ba2^ix	139.35 (12)
O12^vi—Pr2—O8^ii	119.93 (9)	Si2—O12—Ba2^iv	92.79 (13)
O3—Pr2—O8^ii	135.57 (9)	Pr2^vi—O12—Ba2^iv	96.60 (9)
O3^vi—Pr2—O8^ii	74.72 (9)	Ba2^ix—O12—Ba2^iv	106.94 (9)
O8^vi—Pr2—O8^ii	61.44 (11)	Si2—O13—Si3	134.88 (19)
O2^v—Pr2—Si4^ii	99.88 (8)	Si2—O13—Ba2^vi	99.84 (13)
O10—Pr2—Si4^ii	80.03 (8)	Si3—O13—Ba2^vi	109.40 (14)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x−1, y, z; (iii) −x+1, −y+1, −z+1; (iv) −x+2, −y+1, −z+2; (v) x, y+1, z; (vi) −x+1, −y+1, −z+2; (vii) −x+2, −y, −z+1; (viii) −x+2, −y+1, −z+1; (ix) x, y−1, z; (x) x+1, y, z.

(Sm)

Crystal data

Ba2O13Si4Sm2	F(000) = 1584
Mr = 895.74	Dx = 5.116 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.9961 (9) Å	Cell parameters from 3082 reflections
b = 5.2355 (7) Å	θ = 3.2–26.7°
c = 17.626 (3) Å	µ = 17.12 mm^−1
β = 104.148 (18)°	T = 298 K
V = 1162.9 (3) Å^3	Block, yellow
Z = 4	0.22 × 0.15 × 0.15 mm

Data collection

Rigaku AFC8S diffractometer	1174 independent reflections
Radiation source: fine-focus sealed tube	1129 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.084
ω scans	θmax = 26.5°, θmin = 3.2°
Absorption correction: multi-scan REQAB, CrystalClear	h = −16→16
Tmin = 0.449, Tmax = 1.000	k = −6→6
4506 measured reflections	l = −21→21

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.049	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.146	(Δ/σ)max < 0.001
S = 1.18	Δρmax = 2.13 e Å^−3
1174 reflections	Δρmin = −3.88 e Å^−3
97 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0062 (4)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Sm1	0.88505 (4)	0.00895 (8)	0.41518 (3)	0.0080 (3)
Ba1	0.66214 (5)	0.49513 (8)	0.33290 (4)	0.0103 (3)
Si1	0.8820 (2)	−0.4667 (5)	0.54470 (16)	0.0081 (6)
Si2	1.0627 (2)	−0.5441 (5)	0.68454 (16)	0.0088 (6)
O1	0.9819 (4)	−0.6424 (11)	0.5998 (3)	0.0109 (12)
O2	0.7949 (5)	−0.4620 (12)	0.5968 (4)	0.0103 (13)
O3	0.9290 (4)	−0.1748 (11)	0.5388 (3)	0.0100 (12)
O4	0.8430 (5)	−0.5948 (12)	0.4600 (3)	0.0124 (13)
O5	0.5000	0.1478 (16)	0.2500	0.0106 (16)
O6	0.9196 (5)	0.2427 (12)	0.3098 (3)	0.0147 (13)
O7	0.8354 (5)	−0.2760 (12)	0.3060 (3)	0.0123 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sm1	0.0058 (5)	0.0109 (5)	0.0080 (5)	−0.00020 (12)	0.0030 (3)	−0.00011 (13)
Ba1	0.0090 (5)	0.0120 (5)	0.0104 (5)	−0.00173 (14)	0.0035 (3)	−0.00090 (15)
Si1	0.0068 (11)	0.0109 (11)	0.0077 (14)	−0.0014 (8)	0.0036 (9)	−0.0010 (8)
Si2	0.0073 (12)	0.0123 (11)	0.0072 (12)	0.0002 (9)	0.0024 (9)	−0.0004 (9)
O1	0.010 (3)	0.011 (3)	0.014 (3)	−0.001 (2)	0.006 (2)	−0.002 (2)
O2	0.008 (3)	0.017 (3)	0.007 (3)	−0.001 (2)	0.004 (2)	−0.001 (2)
O3	0.012 (3)	0.013 (3)	0.004 (3)	0.000 (2)	−0.001 (2)	0.001 (2)
O4	0.015 (3)	0.014 (3)	0.009 (3)	0.001 (2)	0.005 (2)	−0.005 (2)
O5	0.014 (4)	0.012 (4)	0.007 (4)	0.000	0.006 (3)	0.000
O6	0.021 (3)	0.014 (3)	0.011 (3)	−0.006 (2)	0.009 (3)	0.002 (2)
O7	0.008 (3)	0.016 (3)	0.014 (3)	0.002 (2)	0.005 (2)	0.003 (2)

Geometric parameters (Å, º)

Sm1—O2^i	2.309 (7)	Si1—Ba1^v	3.418 (3)
Sm1—O3	2.323 (5)	Si1—Ba1^i	3.639 (3)
Sm1—O4^ii	2.332 (6)	Si2—O6^iii	1.594 (7)
Sm1—O6	2.357 (6)	Si2—O7^iv	1.600 (6)
Sm1—O7	2.395 (6)	Si2—O5^i	1.658 (4)
Sm1—O3^iii	2.508 (6)	Si2—O1	1.683 (6)
Sm1—O1^iv	2.639 (6)	Si2—Sm1^iv	3.171 (3)
Sm1—Si2^iv	3.171 (3)	Si2—Sm1^iii	3.462 (3)
Sm1—Si1	3.385 (3)	Si2—Ba1^viii	3.526 (3)
Sm1—Si2^iii	3.462 (3)	Si2—Ba1^iii	3.672 (3)
Sm1—Sm1^iii	3.6755 (13)	Si2—Ba1^i	3.711 (3)
Sm1—Ba1	3.8627 (9)	O1—Sm1^iv	2.639 (6)
Ba1—O7^ii	2.693 (6)	O1—Ba1^i	3.068 (6)
Ba1—O2^v	2.736 (7)	O2—Sm1^i	2.309 (7)
Ba1—O6^vi	2.799 (6)	O2—Ba1^v	2.736 (7)
Ba1—O7^vi	2.837 (6)	O2—Ba1^i	3.049 (7)
Ba1—O4^ii	2.861 (6)	O3—Sm1^iii	2.508 (6)
Ba1—O5	2.894 (5)	O3—Ba1^v	2.951 (6)
Ba1—O3^v	2.951 (6)	O4—Sm1^ix	2.332 (6)
Ba1—O2^i	3.049 (7)	O4—Ba1^ix	2.861 (6)
Ba1—O1^i	3.068 (6)	O5—Si2^vii	1.658 (4)
Ba1—Si1^v	3.418 (3)	O5—Si2^i	1.658 (4)
Ba1—Si2^vii	3.526 (3)	O5—Ba1^x	2.894 (5)
Ba1—Si1^i	3.639 (3)	O6—Si2^iii	1.594 (7)
Si1—O4	1.602 (6)	O6—Ba1^xi	2.799 (6)
Si1—O2	1.624 (7)	O7—Si2^iv	1.600 (6)
Si1—O3	1.658 (6)	O7—Ba1^ix	2.693 (6)
Si1—O1	1.691 (6)	O7—Ba1^xi	2.837 (6)
O2^i—Sm1—O3	93.1 (2)	O6^vi—Ba1—Si2^vii	69.74 (13)
O2^i—Sm1—O4^ii	79.0 (2)	O7^vi—Ba1—Si2^vii	26.40 (12)
O3—Sm1—O4^ii	94.3 (2)	O4^ii—Ba1—Si2^vii	123.53 (13)
O2^i—Sm1—O6	111.5 (2)	O5—Ba1—Si2^vii	27.77 (6)
O3—Sm1—O6	154.7 (2)	O3^v—Ba1—Si2^vii	129.68 (12)
O4^ii—Sm1—O6	84.8 (2)	O2^i—Ba1—Si2^vii	71.69 (14)
O2^i—Sm1—O7	78.0 (2)	O1^i—Ba1—Si2^vii	74.69 (12)
O3—Sm1—O7	116.9 (2)	Si1^v—Ba1—Si2^vii	149.78 (7)
O4^ii—Sm1—O7	141.9 (2)	O7^ii—Ba1—Si1^i	134.62 (13)
O6—Sm1—O7	75.9 (2)	O2^v—Ba1—Si1^i	117.08 (15)
O2^i—Sm1—O3^iii	160.1 (2)	O6^vi—Ba1—Si1^i	143.59 (14)
O3—Sm1—O3^iii	81.0 (2)	O7^vi—Ba1—Si1^i	99.67 (13)
O4^ii—Sm1—O3^iii	82.5 (2)	O4^ii—Ba1—Si1^i	68.24 (14)
O6—Sm1—O3^iii	73.78 (19)	O5—Ba1—Si1^i	67.71 (10)
O7—Sm1—O3^iii	121.61 (19)	O3^v—Ba1—Si1^i	68.72 (12)
O2^i—Sm1—O1^iv	125.9 (2)	O2^i—Ba1—Si1^i	26.26 (14)
O3—Sm1—O1^iv	77.03 (19)	O1^i—Ba1—Si1^i	27.55 (11)
O4^ii—Sm1—O1^iv	153.43 (19)	Si1^v—Ba1—Si1^i	95.72 (7)
O6—Sm1—O1^iv	92.5 (2)	Si2^vii—Ba1—Si1^i	81.27 (6)
O7—Sm1—O1^iv	61.39 (18)	O4—Si1—O2	115.3 (4)
O3^iii—Sm1—O1^iv	71.41 (19)	O4—Si1—O3	111.4 (3)
O2^i—Sm1—Si2^iv	102.52 (17)	O2—Si1—O3	109.9 (3)
O3—Sm1—Si2^iv	99.52 (15)	O4—Si1—O1	109.4 (3)
O4^ii—Sm1—Si2^iv	165.96 (16)	O2—Si1—O1	103.1 (3)
O6—Sm1—Si2^iv	81.61 (16)	O3—Si1—O1	107.1 (3)
O7—Sm1—Si2^iv	29.41 (14)	O4—Si1—Sm1	74.5 (2)
O3^iii—Sm1—Si2^iv	97.17 (14)	O2—Si1—Sm1	119.7 (3)
O1^iv—Sm1—Si2^iv	32.03 (13)	O3—Si1—Sm1	38.3 (2)
O2^i—Sm1—Si1	78.76 (18)	O1—Si1—Sm1	130.8 (2)
O3—Sm1—Si1	26.25 (15)	O4—Si1—Ba1^v	145.8 (3)
O4^ii—Sm1—Si1	112.58 (16)	O2—Si1—Ba1^v	52.0 (2)
O6—Sm1—Si1	161.66 (16)	O3—Si1—Ba1^v	59.7 (2)
O7—Sm1—Si1	92.19 (15)	O1—Si1—Ba1^v	104.7 (2)
O3^iii—Sm1—Si1	101.88 (14)	Sm1—Si1—Ba1^v	85.74 (6)
O1^iv—Sm1—Si1	69.40 (13)	O4—Si1—Ba1^i	100.1 (3)
Si2^iv—Sm1—Si1	81.29 (7)	O2—Si1—Ba1^i	56.2 (2)
O2^i—Sm1—Si2^iii	111.07 (17)	O3—Si1—Ba1^i	148.4 (2)
O3—Sm1—Si2^iii	141.07 (15)	O1—Si1—Ba1^i	57.1 (2)
O4^ii—Sm1—Si2^iii	62.81 (16)	Sm1—Si1—Ba1^i	171.34 (10)
O6—Sm1—Si2^iii	23.20 (15)	Ba1^v—Si1—Ba1^i	95.72 (7)
O7—Sm1—Si2^iii	98.28 (15)	O6^iii—Si2—O7^iv	118.2 (3)
O3^iii—Sm1—Si2^iii	65.85 (13)	O6^iii—Si2—O5^i	111.6 (4)
O1^iv—Sm1—Si2^iii	108.86 (14)	O7^iv—Si2—O5^i	105.7 (3)
Si2^iv—Sm1—Si2^iii	104.16 (8)	O6^iii—Si2—O1	114.0 (3)
Si1—Sm1—Si2^iii	166.87 (7)	O7^iv—Si2—O1	103.5 (3)
O2^i—Sm1—Sm1^iii	132.49 (17)	O5^i—Si2—O1	102.2 (3)
O3—Sm1—Sm1^iii	42.38 (14)	O6^iii—Si2—Sm1^iv	138.3 (3)
O4^ii—Sm1—Sm1^iii	87.62 (15)	O7^iv—Si2—Sm1^iv	47.3 (2)
O6—Sm1—Sm1^iii	112.37 (15)	O5^i—Si2—Sm1^iv	110.0 (3)
O7—Sm1—Sm1^iii	130.04 (14)	O1—Si2—Sm1^iv	56.3 (2)
O3^iii—Sm1—Sm1^iii	38.62 (12)	O6^iii—Si2—Sm1^iii	35.6 (2)
O1^iv—Sm1—Sm1^iii	68.94 (12)	O7^iv—Si2—Sm1^iii	105.6 (2)
Si2^iv—Sm1—Sm1^iii	100.94 (5)	O5^i—Si2—Sm1^iii	144.0 (3)
Si1—Sm1—Sm1^iii	64.77 (5)	O1—Si2—Sm1^iii	87.4 (2)
Si2^iii—Sm1—Sm1^iii	102.26 (5)	Sm1^iv—Si2—Sm1^iii	104.16 (8)
O2^i—Sm1—Ba1	52.11 (17)	O6^iii—Si2—Ba1^viii	126.6 (3)
O3—Sm1—Ba1	127.97 (14)	O7^iv—Si2—Ba1^viii	52.0 (2)
O4^ii—Sm1—Ba1	47.50 (15)	O5^i—Si2—Ba1^viii	54.42 (18)
O6—Sm1—Ba1	68.40 (16)	O1—Si2—Ba1^viii	119.3 (2)
O7—Sm1—Ba1	94.52 (14)	Sm1^iv—Si2—Ba1^viii	78.92 (6)
O3^iii—Sm1—Ba1	117.90 (13)	Sm1^iii—Si2—Ba1^viii	146.80 (8)
O1^iv—Sm1—Ba1	153.02 (13)	O6^iii—Si2—Ba1^iii	78.9 (2)
Si2^iv—Sm1—Ba1	122.70 (5)	O7^iv—Si2—Ba1^iii	41.6 (2)
Si1—Sm1—Ba1	127.36 (5)	O5^i—Si2—Ba1^iii	137.34 (14)
Si2^iii—Sm1—Ba1	59.88 (4)	O1—Si2—Ba1^iii	110.8 (2)
Sm1^iii—Sm1—Ba1	135.08 (2)	Sm1^iv—Si2—Ba1^iii	70.27 (5)
O7^ii—Ba1—O2^v	66.11 (19)	Sm1^iii—Si2—Ba1^iii	65.49 (5)
O7^ii—Ba1—O6^vi	77.63 (18)	Ba1^viii—Si2—Ba1^iii	85.47 (6)
O2^v—Ba1—O6^vi	89.07 (19)	O6^iii—Si2—Ba1^i	137.2 (3)
O7^ii—Ba1—O7^vi	83.37 (13)	O7^iv—Si2—Ba1^i	104.4 (2)
O2^v—Ba1—O7^vi	142.54 (19)	O5^i—Si2—Ba1^i	48.58 (18)
O6^vi—Ba1—O7^vi	62.47 (17)	O1—Si2—Ba1^i	54.8 (2)
O7^ii—Ba1—O4^ii	69.44 (18)	Sm1^iv—Si2—Ba1^i	74.73 (6)
O2^v—Ba1—O4^ii	75.80 (19)	Sm1^iii—Si2—Ba1^i	136.15 (8)
O6^vi—Ba1—O4^ii	146.99 (18)	Ba1^viii—Si2—Ba1^i	76.92 (6)
O7^vi—Ba1—O4^ii	114.39 (17)	Ba1^iii—Si2—Ba1^i	143.20 (8)
O7^ii—Ba1—O5	136.69 (13)	Si2—O1—Si1	124.6 (4)
O2^v—Ba1—O5	146.40 (18)	Si2—O1—Sm1^iv	91.7 (2)
O6^vi—Ba1—O5	76.56 (17)	Si1—O1—Sm1^iv	140.2 (3)
O7^vi—Ba1—O5	53.86 (12)	Si2—O1—Ba1^i	98.5 (3)
O4^ii—Ba1—O5	130.48 (18)	Si1—O1—Ba1^i	95.4 (2)
O7^ii—Ba1—O3^v	120.17 (17)	Sm1^iv—O1—Ba1^i	94.45 (18)
O2^v—Ba1—O3^v	56.23 (18)	Si1—O2—Sm1^i	141.0 (4)
O6^vi—Ba1—O3^v	113.93 (16)	Si1—O2—Ba1^v	100.1 (3)
O7^vi—Ba1—O3^v	155.76 (16)	Sm1^i—O2—Ba1^v	103.1 (2)
O4^ii—Ba1—O3^v	81.93 (16)	Si1—O2—Ba1^i	97.6 (3)
O5—Ba1—O3^v	102.00 (12)	Sm1^i—O2—Ba1^i	91.2 (2)
O7^ii—Ba1—O2^i	113.61 (18)	Ba1^v—O2—Ba1^i	129.6 (2)
O2^v—Ba1—O2^i	129.6 (2)	Si1—O3—Sm1	115.5 (3)
O6^vi—Ba1—O2^i	141.33 (18)	Si1—O3—Sm1^iii	129.7 (3)
O7^vi—Ba1—O2^i	81.54 (18)	Sm1—O3—Sm1^iii	99.0 (2)
O4^ii—Ba1—O2^i	59.84 (18)	Si1—O3—Ba1^v	91.3 (2)
O5—Ba1—O2^i	70.64 (18)	Sm1—O3—Ba1^v	122.3 (2)
O3^v—Ba1—O2^i	92.79 (17)	Sm1^iii—O3—Ba1^v	100.23 (18)
O7^ii—Ba1—O1^i	162.10 (17)	Si1—O4—Sm1^ix	129.8 (3)
O2^v—Ba1—O1^i	116.06 (18)	Si1—O4—Ba1^ix	132.3 (3)
O6^vi—Ba1—O1^i	119.54 (17)	Sm1^ix—O4—Ba1^ix	95.57 (19)
O7^vi—Ba1—O1^i	99.74 (16)	Si2^vii—O5—Si2^i	141.8 (6)
O4^ii—Ba1—O1^i	93.47 (17)	Si2^vii—O5—Ba1^x	105.98 (16)
O5—Ba1—O1^i	51.62 (12)	Si2^i—O5—Ba1^x	97.82 (16)
O3^v—Ba1—O1^i	59.88 (16)	Si2^vii—O5—Ba1	97.82 (16)
O2^i—Ba1—O1^i	50.24 (17)	Si2^i—O5—Ba1	105.98 (16)
O7^ii—Ba1—Si1^v	93.81 (14)	Ba1^x—O5—Ba1	102.2 (3)
O2^v—Ba1—Si1^v	27.88 (15)	Si2^iii—O6—Sm1	121.2 (3)
O6^vi—Ba1—Si1^v	98.48 (13)	Si2^iii—O6—Ba1^xi	122.1 (3)
O7^vi—Ba1—Si1^v	160.93 (13)	Sm1—O6—Ba1^xi	111.3 (2)
O4^ii—Ba1—Si1^v	81.80 (13)	Si2^iv—O7—Sm1	103.3 (3)
O5—Ba1—Si1^v	123.95 (9)	Si2^iv—O7—Ba1^ix	115.2 (3)
O3^v—Ba1—Si1^v	29.01 (12)	Sm1—O7—Ba1^ix	102.0 (2)
O2^i—Ba1—Si1^v	116.56 (14)	Si2^iv—O7—Ba1^xi	101.6 (3)
O1^i—Ba1—Si1^v	88.74 (12)	Sm1—O7—Ba1^xi	108.9 (2)
O7^ii—Ba1—Si2^vii	109.76 (14)	Ba1^ix—O7—Ba1^xi	124.1 (2)
O2^v—Ba1—Si2^vii	158.67 (15)

Symmetry codes: (i) −x+3/2, −y−1/2, −z+1; (ii) x, y+1, z; (iii) −x+2, −y, −z+1; (iv) −x+2, −y−1, −z+1; (v) −x+3/2, −y+1/2, −z+1; (vi) −x+3/2, y+1/2, −z+1/2; (vii) x−1/2, −y−1/2, z−1/2; (viii) x+1/2, −y−1/2, z+1/2; (ix) x, y−1, z; (x) −x+1, y, −z+1/2; (xi) −x+3/2, y−1/2, −z+1/2.

(Eu)

Crystal data

Ba2Eu2O13Si4	F(000) = 1592
Mr = 898.96	Dx = 5.166 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.9545 (13) Å	Cell parameters from 2928 reflections
b = 5.2311 (8) Å	θ = 2.4–26.7°
c = 17.595 (5) Å	µ = 17.92 mm^−1
β = 104.23 (2)°	T = 298 K
V = 1155.7 (4) Å^3	Block, colourless
Z = 4	0.18 × 0.16 × 0.13 mm

Data collection

Rigaku AFC8S diffractometer	1196 independent reflections
Radiation source: fine-focus sealed tube	1095 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.080
ω scans	θmax = 26.5°, θmin = 2.4°
Absorption correction: multi-scan REQAB, CrystalClear	h = −16→16
Tmin = 0.382, Tmax = 1.000	k = −6→5
4857 measured reflections	l = −22→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.119	(Δ/σ)max < 0.001
S = 1.11	Δρmax = 2.82 e Å^−3
1196 reflections	Δρmin = −3.04 e Å^−3
97 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.00065 (12)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Eu1	0.88547 (3)	0.00868 (7)	0.41531 (3)	0.0099 (3)
Ba1	0.66220 (4)	0.49521 (8)	0.33281 (3)	0.0121 (3)
Si1	0.8815 (2)	−0.4671 (5)	0.54424 (14)	0.0101 (5)
Si2	1.06251 (19)	−0.5431 (5)	0.68445 (14)	0.0105 (5)
O1	0.9823 (4)	−0.6417 (11)	0.6001 (3)	0.0147 (12)
O2	0.7948 (5)	−0.4610 (12)	0.5967 (4)	0.0142 (12)
O3	0.9291 (4)	−0.1749 (11)	0.5387 (3)	0.0115 (11)
O4	0.8431 (5)	−0.5980 (12)	0.4602 (3)	0.0155 (12)
O5	0.5000	0.1443 (16)	0.2500	0.0118 (16)
O6	0.9192 (5)	0.2432 (12)	0.3107 (4)	0.0194 (13)
O7	0.8354 (5)	−0.2766 (12)	0.3062 (3)	0.0141 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Eu1	0.0110 (3)	0.0110 (3)	0.0086 (4)	−0.00005 (13)	0.0040 (2)	0.00017 (12)
Ba1	0.0137 (4)	0.0122 (4)	0.0110 (4)	−0.00158 (15)	0.0043 (3)	−0.00098 (15)
Si1	0.0115 (10)	0.0109 (10)	0.0085 (12)	−0.0002 (8)	0.0034 (9)	0.0007 (8)
Si2	0.0119 (11)	0.0116 (10)	0.0095 (12)	0.0002 (8)	0.0054 (9)	0.0008 (9)
O1	0.016 (3)	0.011 (3)	0.016 (3)	−0.001 (2)	0.004 (2)	−0.002 (2)
O2	0.012 (3)	0.019 (3)	0.013 (3)	0.002 (2)	0.006 (2)	0.002 (2)
O3	0.017 (3)	0.010 (3)	0.007 (3)	−0.001 (2)	0.002 (2)	0.000 (2)
O4	0.019 (3)	0.015 (3)	0.014 (3)	0.002 (2)	0.007 (2)	−0.004 (2)
O5	0.018 (4)	0.013 (4)	0.006 (4)	0.000	0.006 (3)	0.000
O6	0.025 (3)	0.016 (3)	0.019 (3)	−0.005 (2)	0.008 (3)	−0.003 (2)
O7	0.015 (3)	0.017 (3)	0.010 (3)	0.001 (2)	0.003 (2)	0.002 (2)

Geometric parameters (Å, º)

Eu1—O2^i	2.307 (6)	Si1—Eu1^viii	3.567 (2)
Eu1—O3	2.313 (5)	Si1—Ba1^i	3.638 (3)
Eu1—O4^ii	2.317 (6)	Si2—O6^iii	1.586 (7)
Eu1—O6	2.341 (6)	Si2—O7^iv	1.600 (6)
Eu1—O7	2.392 (6)	Si2—O5^i	1.651 (4)
Eu1—O3^iii	2.495 (6)	Si2—O1	1.670 (6)
Eu1—O1^iv	2.631 (6)	Si2—Eu1^iv	3.170 (2)
Eu1—Si2^iv	3.170 (2)	Si2—Eu1^iii	3.454 (2)
Eu1—Si1	3.377 (2)	Si2—Ba1^ix	3.524 (3)
Eu1—Si2^iii	3.454 (2)	Si2—Ba1^iii	3.661 (2)
Eu1—Si1^ii	3.567 (2)	Si2—Ba1^i	3.705 (2)
Eu1—Eu1^iii	3.6533 (14)	O1—Eu1^iv	2.631 (6)
Ba1—O7^ii	2.683 (6)	O1—Ba1^i	3.066 (6)
Ba1—O2^v	2.729 (7)	O2—Eu1^i	2.307 (6)
Ba1—O6^vi	2.804 (6)	O2—Ba1^v	2.729 (7)
Ba1—O7^vi	2.835 (6)	O2—Ba1^i	3.053 (6)
Ba1—O4^ii	2.858 (6)	O3—Eu1^iii	2.495 (6)
Ba1—O5	2.898 (5)	O3—Ba1^v	2.951 (5)
Ba1—O3^v	2.951 (5)	O4—Eu1^viii	2.317 (6)
Ba1—O2^i	3.053 (6)	O4—Ba1^viii	2.858 (6)
Ba1—O1^i	3.066 (6)	O5—Si2^vii	1.651 (4)
Ba1—Si1^v	3.420 (2)	O5—Si2^i	1.651 (4)
Ba1—Si2^vii	3.524 (3)	O5—Ba1^x	2.899 (5)
Ba1—Si1^i	3.638 (3)	O6—Si2^iii	1.586 (7)
Si1—O4	1.595 (6)	O6—Ba1^xi	2.804 (6)
Si1—O2	1.619 (6)	O7—Si2^iv	1.600 (6)
Si1—O3	1.660 (6)	O7—Ba1^viii	2.683 (6)
Si1—O1	1.695 (6)	O7—Ba1^xi	2.836 (6)
Si1—Ba1^v	3.420 (2)
O2^i—Eu1—O3	92.8 (2)	O5—Ba1—Si2^vii	27.66 (5)
O2^i—Eu1—O4^ii	78.9 (2)	O3^v—Ba1—Si2^vii	129.68 (12)
O3—Eu1—O4^ii	94.2 (2)	O2^i—Ba1—Si2^vii	71.56 (13)
O2^i—Eu1—O6	111.4 (2)	O1^i—Ba1—Si2^vii	74.52 (12)
O3—Eu1—O6	154.9 (2)	Si1^v—Ba1—Si2^vii	149.93 (7)
O4^ii—Eu1—O6	84.7 (2)	O7^ii—Ba1—Si1^i	134.51 (13)
O2^i—Eu1—O7	77.9 (2)	O2^v—Ba1—Si1^i	116.86 (14)
O3—Eu1—O7	116.7 (2)	O6^vi—Ba1—Si1^i	143.88 (15)
O4^ii—Eu1—O7	141.9 (2)	O7^vi—Ba1—Si1^i	99.70 (13)
O6—Eu1—O7	76.2 (2)	O4^ii—Ba1—Si1^i	67.78 (13)
O2^i—Eu1—O3^iii	160.0 (2)	O5—Ba1—Si1^i	67.57 (10)
O3—Eu1—O3^iii	81.2 (2)	O3^v—Ba1—Si1^i	68.65 (12)
O4^ii—Eu1—O3^iii	82.5 (2)	O2^i—Ba1—Si1^i	26.19 (12)
O6—Eu1—O3^iii	73.8 (2)	O1^i—Ba1—Si1^i	27.65 (12)
O7—Eu1—O3^iii	121.81 (19)	Si1^v—Ba1—Si1^i	95.61 (6)
O2^i—Eu1—O1^iv	125.6 (2)	Si2^vii—Ba1—Si1^i	81.29 (6)
O3—Eu1—O1^iv	77.23 (19)	O4—Si1—O2	115.8 (4)
O4^ii—Eu1—O1^iv	153.8 (2)	O4—Si1—O3	112.1 (3)
O6—Eu1—O1^iv	92.8 (2)	O2—Si1—O3	109.6 (3)
O7—Eu1—O1^iv	61.11 (19)	O4—Si1—O1	109.1 (3)
O3^iii—Eu1—O1^iv	71.84 (18)	O2—Si1—O1	102.9 (3)
O2^i—Eu1—Si2^iv	102.40 (17)	O3—Si1—O1	106.6 (3)
O3—Eu1—Si2^iv	99.47 (15)	O4—Si1—Eu1	75.3 (2)
O4^ii—Eu1—Si2^iv	166.19 (15)	O2—Si1—Eu1	119.7 (3)
O6—Eu1—Si2^iv	82.01 (16)	O3—Si1—Eu1	38.2 (2)
O7—Eu1—Si2^iv	29.40 (14)	O1—Si1—Eu1	130.5 (2)
O3^iii—Eu1—Si2^iv	97.39 (14)	O4—Si1—Ba1^v	146.5 (2)
O1^iv—Eu1—Si2^iv	31.77 (13)	O2—Si1—Ba1^v	51.6 (2)
O2^i—Eu1—Si1	78.43 (17)	O3—Si1—Ba1^v	59.6 (2)
O3—Eu1—Si1	26.36 (15)	O1—Si1—Ba1^v	104.2 (2)
O4^ii—Eu1—Si1	112.44 (15)	Eu1—Si1—Ba1^v	85.70 (6)
O6—Eu1—Si1	162.02 (16)	O4—Si1—Eu1^viii	29.5 (2)
O7—Eu1—Si1	91.92 (15)	O2—Si1—Eu1^viii	119.9 (3)
O3^iii—Eu1—Si1	102.20 (14)	O3—Si1—Eu1^viii	127.4 (2)
O1^iv—Eu1—Si1	69.47 (14)	O1—Si1—Eu1^viii	79.9 (2)
Si2^iv—Eu1—Si1	81.15 (6)	Eu1—Si1—Eu1^viii	97.72 (6)
O2^i—Eu1—Si2^iii	111.15 (17)	Ba1^v—Si1—Eu1^viii	170.96 (9)
O3—Eu1—Si2^iii	141.24 (15)	O4—Si1—Ba1^i	99.6 (3)
O4^ii—Eu1—Si2^iii	63.04 (15)	O2—Si1—Ba1^i	56.3 (2)
O6—Eu1—Si2^iii	22.90 (16)	O3—Si1—Ba1^i	148.1 (2)
O7—Eu1—Si2^iii	98.35 (15)	O1—Si1—Ba1^i	57.1 (2)
O3^iii—Eu1—Si2^iii	65.81 (14)	Eu1—Si1—Ba1^i	171.71 (9)
O1^iv—Eu1—Si2^iii	108.95 (14)	Ba1^v—Si1—Ba1^i	95.61 (6)
Si2^iv—Eu1—Si2^iii	104.23 (7)	Eu1^viii—Si1—Ba1^i	79.81 (5)
Si1—Eu1—Si2^iii	167.17 (7)	O6^iii—Si2—O7^iv	118.0 (4)
O2^i—Eu1—Si1^ii	88.21 (17)	O6^iii—Si2—O5^i	111.8 (4)
O3—Eu1—Si1^ii	76.16 (15)	O7^iv—Si2—O5^i	105.9 (3)
O4^ii—Eu1—Si1^ii	19.83 (15)	O6^iii—Si2—O1	113.9 (3)
O6—Eu1—Si1^ii	97.58 (16)	O7^iv—Si2—O1	103.1 (3)
O7—Eu1—Si1^ii	161.19 (15)	O5^i—Si2—O1	102.5 (3)
O3^iii—Eu1—Si1^ii	71.88 (14)	O6^iii—Si2—Eu1^iv	137.8 (3)
O1^iv—Eu1—Si1^ii	137.56 (13)	O7^iv—Si2—Eu1^iv	47.2 (2)
Si2^iv—Eu1—Si1^ii	168.80 (7)	O5^i—Si2—Eu1^iv	110.4 (3)
Si1—Eu1—Si1^ii	97.73 (6)	O1—Si2—Eu1^iv	56.0 (2)
Si2^iii—Eu1—Si1^ii	74.70 (6)	O6^iii—Si2—Eu1^iii	35.1 (2)
O2^i—Eu1—Eu1^iii	132.30 (16)	O7^iv—Si2—Eu1^iii	105.7 (2)
O3—Eu1—Eu1^iii	42.45 (14)	O5^i—Si2—Eu1^iii	143.6 (3)
O4^ii—Eu1—Eu1^iii	87.54 (15)	O1—Si2—Eu1^iii	87.4 (2)
O6—Eu1—Eu1^iii	112.54 (16)	Eu1^iv—Si2—Eu1^iii	104.23 (7)
O7—Eu1—Eu1^iii	130.15 (14)	O6^iii—Si2—Ba1^ix	127.0 (3)
O3^iii—Eu1—Eu1^iii	38.73 (13)	O7^iv—Si2—Ba1^ix	52.0 (2)
O1^iv—Eu1—Eu1^iii	69.34 (13)	O5^i—Si2—Ba1^ix	54.59 (19)
Si2^iv—Eu1—Eu1^iii	101.07 (5)	O1—Si2—Ba1^ix	119.0 (2)
Si1—Eu1—Eu1^iii	64.98 (5)	Eu1^iv—Si2—Ba1^ix	78.78 (6)
Si2^iii—Eu1—Eu1^iii	102.35 (5)	Eu1^iii—Si2—Ba1^ix	146.91 (8)
Si1^ii—Eu1—Eu1^iii	68.66 (4)	O6^iii—Si2—Ba1^iii	78.5 (3)
O7^ii—Ba1—O2^v	66.19 (18)	O7^iv—Si2—Ba1^iii	41.5 (2)
O7^ii—Ba1—O6^vi	77.43 (19)	O5^i—Si2—Ba1^iii	137.30 (14)
O2^v—Ba1—O6^vi	89.19 (19)	O1—Si2—Ba1^iii	110.7 (2)
O7^ii—Ba1—O7^vi	83.43 (13)	Eu1^iv—Si2—Ba1^iii	70.28 (5)
O2^v—Ba1—O7^vi	142.71 (18)	Eu1^iii—Si2—Ba1^iii	65.59 (4)
O6^vi—Ba1—O7^vi	62.40 (18)	Ba1^ix—Si2—Ba1^iii	85.43 (6)
O7^ii—Ba1—O4^ii	69.69 (17)	O6^iii—Si2—Ba1^i	137.7 (3)
O2^v—Ba1—O4^ii	76.09 (18)	O7^iv—Si2—Ba1^i	104.2 (2)
O6^vi—Ba1—O4^ii	147.06 (18)	O5^i—Si2—Ba1^i	48.85 (18)
O7^vi—Ba1—O4^ii	114.19 (17)	O1—Si2—Ba1^i	54.9 (2)
O7^ii—Ba1—O5	136.73 (13)	Eu1^iv—Si2—Ba1^i	74.57 (5)
O2^v—Ba1—O5	146.68 (17)	Eu1^iii—Si2—Ba1^i	136.27 (8)
O6^vi—Ba1—O5	76.98 (18)	Ba1^ix—Si2—Ba1^i	76.69 (5)
O7^vi—Ba1—O5	53.79 (12)	Ba1^iii—Si2—Ba1^i	143.00 (7)
O4^ii—Ba1—O5	129.75 (18)	Si2—O1—Si1	124.8 (4)
O7^ii—Ba1—O3^v	120.13 (17)	Si2—O1—Eu1^iv	92.2 (3)
O2^v—Ba1—O3^v	56.12 (17)	Si1—O1—Eu1^iv	139.6 (3)
O6^vi—Ba1—O3^v	114.19 (16)	Si2—O1—Ba1^i	98.6 (3)
O7^vi—Ba1—O3^v	155.77 (16)	Si1—O1—Ba1^i	95.3 (2)
O4^ii—Ba1—O3^v	81.93 (15)	Eu1^iv—O1—Ba1^i	94.26 (18)
O5—Ba1—O3^v	102.08 (12)	Si1—O2—Eu1^i	140.7 (4)
O7^ii—Ba1—O2^i	113.68 (17)	Si1—O2—Ba1^v	100.6 (3)
O2^v—Ba1—O2^i	129.5 (2)	Eu1^i—O2—Ba1^v	103.1 (2)
O6^vi—Ba1—O2^i	141.28 (19)	Si1—O2—Ba1^i	97.5 (3)
O7^vi—Ba1—O2^i	81.49 (17)	Eu1^i—O2—Ba1^i	91.0 (2)
O4^ii—Ba1—O2^i	59.52 (18)	Ba1^v—O2—Ba1^i	129.5 (2)
O5—Ba1—O2^i	70.23 (18)	Si1—O3—Eu1	115.4 (3)
O3^v—Ba1—O2^i	92.72 (16)	Si1—O3—Eu1^iii	130.0 (3)
O7^ii—Ba1—O1^i	162.10 (17)	Eu1—O3—Eu1^iii	98.8 (2)
O2^v—Ba1—O1^i	116.04 (17)	Si1—O3—Ba1^v	91.4 (2)
O6^vi—Ba1—O1^i	119.71 (18)	Eu1—O3—Ba1^v	122.4 (2)
O7^vi—Ba1—O1^i	99.60 (16)	Eu1^iii—O3—Ba1^v	100.11 (18)
O4^ii—Ba1—O1^i	93.21 (17)	Si1—O4—Eu1^viii	130.6 (3)
O5—Ba1—O1^i	51.38 (12)	Si1—O4—Ba1^viii	131.5 (3)
O3^v—Ba1—O1^i	59.98 (16)	Eu1^viii—O4—Ba1^viii	95.8 (2)
O2^i—Ba1—O1^i	50.14 (16)	Si2^vii—O5—Si2^i	142.6 (6)
O7^ii—Ba1—Si1^v	93.73 (14)	Si2^vii—O5—Ba1	97.75 (16)
O2^v—Ba1—Si1^v	27.73 (13)	Si2^i—O5—Ba1	105.75 (17)
O6^vi—Ba1—Si1^v	98.71 (14)	Si2^vii—O5—Ba1^x	105.75 (17)
O7^vi—Ba1—Si1^v	161.09 (13)	Si2^i—O5—Ba1^x	97.75 (16)
O4^ii—Ba1—Si1^v	81.88 (12)	Ba1—O5—Ba1^x	101.4 (3)
O5—Ba1—Si1^v	124.24 (9)	Si2^iii—O6—Eu1	122.0 (3)
O3^v—Ba1—Si1^v	29.03 (12)	Si2^iii—O6—Ba1^xi	121.6 (3)
O2^i—Ba1—Si1^v	116.47 (13)	Eu1—O6—Ba1^xi	111.4 (2)
O1^i—Ba1—Si1^v	88.86 (12)	Si2^iv—O7—Eu1	103.4 (3)
O7^ii—Ba1—Si2^vii	109.83 (13)	Si2^iv—O7—Ba1^viii	115.2 (3)
O2^v—Ba1—Si2^vii	158.87 (14)	Eu1—O7—Ba1^viii	102.2 (2)
O6^vi—Ba1—Si2^vii	69.83 (14)	Si2^iv—O7—Ba1^xi	101.6 (3)
O7^vi—Ba1—Si2^vii	26.41 (12)	Eu1—O7—Ba1^xi	108.7 (2)
O4^ii—Ba1—Si2^vii	123.14 (13)	Ba1^viii—O7—Ba1^xi	124.1 (2)

Symmetry codes: (i) −x+3/2, −y−1/2, −z+1; (ii) x, y+1, z; (iii) −x+2, −y, −z+1; (iv) −x+2, −y−1, −z+1; (v) −x+3/2, −y+1/2, −z+1; (vi) −x+3/2, y+1/2, −z+1/2; (vii) x−1/2, −y−1/2, z−1/2; (viii) x, y−1, z; (ix) x+1/2, −y−1/2, z+1/2; (x) −x+1, y, −z+1/2; (xi) −x+3/2, y−1/2, −z+1/2.

(Tb)

Crystal data

Ba2O13Si4Tb2	F(000) = 1608
Mr = 912.88	Dx = 5.335 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.8568 (5) Å	Cell parameters from 7901 reflections
b = 5.2019 (2) Å	θ = 2.5–33.2°
c = 17.5243 (7) Å	µ = 19.63 mm^−1
β = 104.1469 (15)°	T = 298 K
V = 1136.48 (8) Å^3	Block, colourless
Z = 4	0.16 × 0.16 × 0.06 mm

Data collection

Bruker Photon 100 diffractometer	1098 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.035
φ and ω scans	θmax = 26.5°, θmin = 2.4°
Absorption correction: multi-scan SADABS, Bruker	h = −16→16
Tmin = 0.839, Tmax = 1.000	k = −6→6
6944 measured reflections	l = −22→22
1177 independent reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0119P)^2 + 18.0813P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.017	(Δ/σ)max = 0.002
wR(F^2) = 0.049	Δρmax = 1.08 e Å^−3
S = 1.19	Δρmin = −0.94 e Å^−3
1177 reflections	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
97 parameters	Extinction coefficient: 0.00262 (8)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Tb1	0.88615 (2)	0.01050 (4)	0.41555 (2)	0.00352 (12)
Ba1	0.66248 (2)	0.49457 (5)	0.33304 (2)	0.00617 (12)
Si1	0.88092 (11)	−0.4664 (3)	0.54303 (8)	0.0030 (3)
Si2	1.06229 (11)	−0.5447 (3)	0.68364 (8)	0.0035 (3)
O1	0.9808 (3)	−0.6440 (6)	0.6000 (2)	0.0046 (7)
O2	0.7934 (3)	−0.4569 (7)	0.5959 (2)	0.0078 (7)
O3	0.9292 (3)	−0.1766 (6)	0.5377 (2)	0.0054 (7)
O4	0.8433 (3)	−0.5999 (7)	0.4588 (2)	0.0073 (7)
O5	0.5000	0.1432 (9)	0.2500	0.0063 (10)
O6	0.9190 (3)	0.2426 (7)	0.3110 (2)	0.0080 (7)
O7	0.8352 (3)	−0.2715 (7)	0.3069 (2)	0.0054 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Tb1	0.00309 (15)	0.00519 (16)	0.00301 (16)	−0.00016 (8)	0.00216 (10)	0.00009 (8)
Ba1	0.00615 (18)	0.00703 (18)	0.00599 (19)	−0.00200 (10)	0.00274 (13)	−0.00101 (10)
Si1	0.0025 (6)	0.0047 (6)	0.0021 (6)	−0.0007 (5)	0.0014 (5)	−0.0005 (5)
Si2	0.0046 (6)	0.0036 (6)	0.0033 (6)	−0.0001 (5)	0.0026 (5)	0.0002 (5)
O1	0.0048 (16)	0.0055 (16)	0.0033 (16)	−0.0009 (13)	0.0008 (13)	−0.0004 (14)
O2	0.0056 (17)	0.0099 (17)	0.0101 (19)	−0.0040 (13)	0.0059 (15)	−0.0026 (15)
O3	0.0074 (16)	0.0043 (16)	0.0052 (17)	0.0001 (13)	0.0026 (13)	0.0012 (13)
O4	0.0072 (17)	0.0084 (17)	0.0064 (17)	0.0020 (14)	0.0020 (14)	−0.0018 (14)
O5	0.008 (2)	0.008 (2)	0.005 (2)	0.000	0.0055 (19)	0.000
O6	0.0137 (18)	0.0046 (16)	0.0061 (17)	−0.0030 (13)	0.0030 (14)	0.0011 (14)
O7	0.0040 (16)	0.0072 (17)	0.0055 (16)	0.0012 (13)	0.0024 (13)	−0.0002 (14)

Geometric parameters (Å, º)

Tb1—O4^i	2.278 (3)	Si1—Ba1^ii	3.6289 (14)
Tb1—O2^ii	2.285 (3)	Si2—O6^iii	1.589 (4)
Tb1—O3	2.292 (3)	Si2—O7^iv	1.603 (4)
Tb1—O6	2.318 (4)	Si2—O5^ii	1.647 (2)
Tb1—O7	2.366 (3)	Si2—O1	1.662 (3)
Tb1—O3^iii	2.470 (3)	Si2—Tb1^iv	3.1456 (14)
Tb1—O1^iv	2.620 (3)	Si2—Tb1^iii	3.4273 (14)
Tb1—Si2^iv	3.1456 (14)	Si2—Ba1^ix	3.5131 (14)
Tb1—Si1	3.3502 (14)	Si2—Ba1^iii	3.6305 (14)
Tb1—Si2^iii	3.4273 (14)	Si2—Ba1^ii	3.6742 (14)
Tb1—Tb1^iii	3.6203 (5)	O1—Tb1^iv	2.620 (3)
Tb1—Ba1	3.8300 (4)	O1—Ba1^ii	3.025 (3)
Ba1—O7^i	2.668 (3)	O2—Tb1^ii	2.285 (3)
Ba1—O2^v	2.704 (4)	O2—Ba1^v	2.704 (4)
Ba1—O6^vi	2.800 (3)	O2—Ba1^ii	3.058 (4)
Ba1—O7^vi	2.822 (3)	O3—Tb1^iii	2.471 (3)
Ba1—O4^i	2.828 (3)	O3—Ba1^v	2.954 (3)
Ba1—O5	2.887 (3)	O4—Tb1^x	2.278 (3)
Ba1—O3^v	2.954 (3)	O4—Ba1^x	2.828 (3)
Ba1—O1^ii	3.025 (3)	O5—Si2^viii	1.647 (2)
Ba1—O2^ii	3.058 (4)	O5—Si2^ii	1.647 (2)
Ba1—O6^vii	3.320 (4)	O5—Ba1^xi	2.887 (3)
Ba1—Si1^v	3.4125 (14)	O6—Si2^iii	1.589 (4)
Ba1—Si2^viii	3.5131 (14)	O6—Ba1^xii	2.800 (3)
Si1—O4	1.595 (4)	O6—Ba1^xiii	3.320 (4)
Si1—O2	1.624 (4)	O7—Si2^iv	1.603 (4)
Si1—O3	1.642 (4)	O7—Ba1^x	2.668 (3)
Si1—O1	1.695 (3)	O7—Ba1^xii	2.822 (3)
Si1—Ba1^v	3.4125 (14)
O4^i—Tb1—O2^ii	79.41 (13)	O7^vi—Ba1—Si1^v	160.70 (7)
O4^i—Tb1—O3	95.17 (12)	O4^i—Ba1—Si1^v	81.95 (7)
O2^ii—Tb1—O3	92.20 (13)	O5—Ba1—Si1^v	124.43 (5)
O4^i—Tb1—O6	84.56 (13)	O3^v—Ba1—Si1^v	28.75 (7)
O2^ii—Tb1—O6	111.68 (13)	O1^ii—Ba1—Si1^v	88.68 (7)
O3—Tb1—O6	155.54 (12)	O2^ii—Ba1—Si1^v	116.21 (7)
O4^i—Tb1—O7	141.03 (12)	O6^vii—Ba1—Si1^v	59.89 (6)
O2^ii—Tb1—O7	77.21 (12)	O7^i—Ba1—Si2^viii	110.17 (8)
O3—Tb1—O7	116.37 (12)	O2^v—Ba1—Si2^viii	158.93 (8)
O6—Tb1—O7	75.81 (12)	O6^vi—Ba1—Si2^viii	69.32 (7)
O4^i—Tb1—O3^iii	82.50 (12)	O7^vi—Ba1—Si2^viii	26.57 (7)
O2^ii—Tb1—O3^iii	160.08 (12)	O4^i—Ba1—Si2^viii	123.16 (7)
O3—Tb1—O3^iii	81.12 (13)	O5—Ba1—Si2^viii	27.67 (3)
O6—Tb1—O3^iii	74.58 (12)	O3^v—Ba1—Si2^viii	130.00 (7)
O7—Tb1—O3^iii	122.58 (12)	O1^ii—Ba1—Si2^viii	74.95 (7)
O4^i—Tb1—O1^iv	154.07 (11)	O2^ii—Ba1—Si2^viii	72.06 (7)
O2^ii—Tb1—O1^iv	124.99 (12)	O6^vii—Ba1—Si2^viii	90.49 (6)
O3—Tb1—O1^iv	76.89 (11)	Si1^v—Ba1—Si2^viii	150.02 (3)
O6—Tb1—O1^iv	92.70 (12)	O4—Si1—O2	116.4 (2)
O7—Tb1—O1^iv	61.59 (11)	O4—Si1—O3	112.3 (2)
O3^iii—Tb1—O1^iv	71.95 (11)	O2—Si1—O3	109.21 (19)
O4^i—Tb1—Si2^iv	165.90 (9)	O4—Si1—O1	108.84 (18)
O2^ii—Tb1—Si2^iv	101.67 (10)	O2—Si1—O1	102.20 (19)
O3—Tb1—Si2^iv	98.82 (9)	O3—Si1—O1	106.95 (18)
O6—Tb1—Si2^iv	81.99 (9)	O4—Si1—Tb1	75.89 (14)
O7—Tb1—Si2^iv	29.76 (8)	O2—Si1—Tb1	119.18 (15)
O3^iii—Tb1—Si2^iv	97.91 (8)	O3—Si1—Tb1	38.03 (12)
O1^iv—Tb1—Si2^iv	31.88 (7)	O1—Si1—Tb1	131.35 (13)
O4^i—Tb1—Si1	113.02 (9)	O4—Si1—Ba1^v	147.33 (14)
O2^ii—Tb1—Si1	77.51 (10)	O2—Si1—Ba1^v	51.02 (13)
O3—Tb1—Si1	26.18 (9)	O3—Si1—Ba1^v	59.92 (13)
O6—Tb1—Si1	161.84 (9)	O1—Si1—Ba1^v	103.61 (13)
O7—Tb1—Si1	91.76 (9)	Tb1—Si1—Ba1^v	85.69 (3)
O3^iii—Tb1—Si1	102.24 (8)	O4—Si1—Ba1^ii	99.67 (14)
O1^iv—Tb1—Si1	69.54 (8)	O2—Si1—Ba1^ii	56.78 (14)
Si2^iv—Tb1—Si1	80.76 (3)	O3—Si1—Ba1^ii	147.68 (14)
O4^i—Tb1—Si2^iii	62.61 (9)	O1—Si1—Ba1^ii	55.95 (12)
O2^ii—Tb1—Si2^iii	111.77 (10)	Tb1—Si1—Ba1^ii	172.23 (5)
O3—Tb1—Si2^iii	141.75 (9)	Ba1^v—Si1—Ba1^ii	95.20 (3)
O6—Tb1—Si2^iii	23.28 (9)	O6^iii—Si2—O7^iv	118.3 (2)
O7—Tb1—Si2^iii	98.30 (9)	O6^iii—Si2—O5^ii	111.0 (2)
O3^iii—Tb1—Si2^iii	66.13 (8)	O7^iv—Si2—O5^ii	105.70 (19)
O1^iv—Tb1—Si2^iii	108.98 (8)	O6^iii—Si2—O1	114.40 (19)
Si2^iv—Tb1—Si2^iii	104.55 (4)	O7^iv—Si2—O1	103.36 (19)
Si1—Tb1—Si2^iii	167.56 (3)	O5^ii—Si2—O1	102.45 (16)
O4^i—Tb1—Tb1^iii	88.17 (8)	O6^iii—Si2—Tb1^iv	138.17 (15)
O2^ii—Tb1—Tb1^iii	131.75 (9)	O7^iv—Si2—Tb1^iv	47.08 (13)
O3—Tb1—Tb1^iii	42.39 (8)	O5^ii—Si2—Tb1^iv	110.80 (18)
O6—Tb1—Tb1^iii	113.26 (9)	O1—Si2—Tb1^iv	56.35 (12)
O7—Tb1—Tb1^iii	130.44 (8)	O6^iii—Si2—Tb1^iii	35.21 (13)
O3^iii—Tb1—Tb1^iii	38.73 (8)	O7^iv—Si2—Tb1^iii	106.25 (14)
O1^iv—Tb1—Tb1^iii	69.21 (7)	O5^ii—Si2—Tb1^iii	142.96 (18)
Si2^iv—Tb1—Tb1^iii	101.01 (3)	O1—Si2—Tb1^iii	87.88 (13)
Si1—Tb1—Tb1^iii	64.94 (2)	Tb1^iv—Si2—Tb1^iii	104.55 (4)
Si2^iii—Tb1—Tb1^iii	102.78 (2)	O6^iii—Si2—Ba1^ix	126.29 (14)
O4^i—Tb1—Ba1	47.17 (8)	O7^iv—Si2—Ba1^ix	51.93 (13)
O2^ii—Tb1—Ba1	52.97 (9)	O5^ii—Si2—Ba1^ix	54.51 (11)
O3—Tb1—Ba1	128.27 (9)	O1—Si2—Ba1^ix	119.19 (13)
O6—Tb1—Ba1	67.92 (9)	Tb1^iv—Si2—Ba1^ix	79.07 (3)
O7—Tb1—Ba1	93.97 (8)	Tb1^iii—Si2—Ba1^ix	146.82 (4)
O3^iii—Tb1—Ba1	117.85 (8)	O6^iii—Si2—Ba1^iii	78.30 (14)
O1^iv—Tb1—Ba1	152.66 (7)	O7^iv—Si2—Ba1^iii	42.15 (13)
Si2^iv—Tb1—Ba1	122.55 (3)	O5^ii—Si2—Ba1^iii	136.97 (8)
Si1—Tb1—Ba1	127.09 (2)	O1—Si2—Ba1^iii	111.60 (13)
Si2^iii—Tb1—Ba1	59.73 (2)	Tb1^iv—Si2—Ba1^iii	70.71 (3)
Tb1^iii—Tb1—Ba1	135.315 (11)	Tb1^iii—Si2—Ba1^iii	65.66 (2)
O7^i—Ba1—O2^v	65.40 (11)	Ba1^ix—Si2—Ba1^iii	85.46 (3)
O7^i—Ba1—O6^vi	77.22 (10)	O6^iii—Si2—Ba1^ii	137.67 (15)
O2^v—Ba1—O6^vi	89.73 (11)	O7^iv—Si2—Ba1^ii	103.83 (14)
O7^i—Ba1—O7^vi	83.60 (7)	O5^ii—Si2—Ba1^ii	49.40 (11)
O2^v—Ba1—O7^vi	142.26 (11)	O1—Si2—Ba1^ii	54.41 (13)
O6^vi—Ba1—O7^vi	61.57 (10)	Tb1^iv—Si2—Ba1^ii	74.53 (3)
O7^i—Ba1—O4^i	69.69 (10)	Tb1^iii—Si2—Ba1^ii	136.21 (4)
O2^v—Ba1—O4^i	75.86 (11)	Ba1^ix—Si2—Ba1^ii	76.88 (3)
O6^vi—Ba1—O4^i	146.90 (11)	Ba1^iii—Si2—Ba1^ii	143.37 (4)
O7^vi—Ba1—O4^i	114.26 (10)	Si2—O1—Si1	125.0 (2)
O7^i—Ba1—O5	137.07 (7)	Si2—O1—Tb1^iv	91.77 (14)
O2^v—Ba1—O5	147.10 (10)	Si1—O1—Tb1^iv	139.06 (18)
O6^vi—Ba1—O5	76.83 (10)	Si2—O1—Ba1^ii	99.07 (15)
O7^vi—Ba1—O5	53.95 (7)	Si1—O1—Ba1^ii	96.40 (14)
O4^i—Ba1—O5	129.68 (10)	Tb1^iv—O1—Ba1^ii	94.39 (10)
O7^i—Ba1—O3^v	119.37 (10)	Si1—O2—Tb1^ii	140.6 (2)
O2^v—Ba1—O3^v	55.92 (10)	Si1—O2—Ba1^v	101.15 (16)
O6^vi—Ba1—O3^v	114.34 (10)	Tb1^ii—O2—Ba1^v	104.04 (13)
O7^vi—Ba1—O3^v	156.14 (9)	Si1—O2—Ba1^ii	96.84 (16)
O4^i—Ba1—O3^v	82.18 (10)	Tb1^ii—O2—Ba1^ii	90.40 (11)
O5—Ba1—O3^v	102.38 (7)	Ba1^v—O2—Ba1^ii	128.97 (13)
O7^i—Ba1—O1^ii	162.30 (10)	Si1—O3—Tb1	115.78 (18)
O2^v—Ba1—O1^ii	115.89 (10)	Si1—O3—Tb1^iii	130.42 (18)
O6^vi—Ba1—O1^ii	119.89 (10)	Tb1—O3—Tb1^iii	98.88 (13)
O7^vi—Ba1—O1^ii	100.25 (9)	Si1—O3—Ba1^v	91.33 (15)
O4^i—Ba1—O1^ii	93.17 (10)	Tb1—O3—Ba1^v	121.96 (13)
O5—Ba1—O1^ii	51.67 (7)	Tb1^iii—O3—Ba1^v	99.47 (11)
O3^v—Ba1—O1^ii	60.06 (9)	Si1—O4—Tb1^x	130.6 (2)
O7^i—Ba1—O2^ii	114.06 (10)	Si1—O4—Ba1^x	130.64 (18)
O2^v—Ba1—O2^ii	128.97 (13)	Tb1^x—O4—Ba1^x	96.60 (12)
O6^vi—Ba1—O2^ii	141.25 (10)	Si2^viii—O5—Si2^ii	143.7 (3)
O7^vi—Ba1—O2^ii	82.24 (10)	Si2^viii—O5—Ba1	97.82 (9)
O4^i—Ba1—O2^ii	59.23 (10)	Si2^ii—O5—Ba1	104.95 (10)
O5—Ba1—O2^ii	70.46 (10)	Si2^viii—O5—Ba1^xi	104.95 (10)
O3^v—Ba1—O2^ii	92.87 (9)	Si2^ii—O5—Ba1^xi	97.82 (9)
O1^ii—Ba1—O2^ii	50.25 (9)	Ba1—O5—Ba1^xi	101.45 (15)
O7^i—Ba1—O6^vii	127.12 (9)	Si2^iii—O6—Tb1	121.5 (2)
O2^v—Ba1—O6^vii	78.09 (10)	Si2^iii—O6—Ba1^xii	121.80 (18)
O6^vi—Ba1—O6^vii	65.27 (12)	Tb1—O6—Ba1^xii	111.85 (13)
O7^vi—Ba1—O6^vii	107.41 (9)	Si2^iii—O6—Ba1^xiii	104.63 (17)
O4^i—Ba1—O6^vii	136.90 (9)	Tb1—O6—Ba1^xiii	93.11 (11)
O5—Ba1—O6^vii	69.01 (9)	Ba1^xii—O6—Ba1^xiii	93.45 (10)
O3^v—Ba1—O6^vii	54.76 (9)	Si2^iv—O7—Tb1	103.16 (17)
O1^ii—Ba1—O6^vii	68.49 (9)	Si2^iv—O7—Ba1^x	114.07 (17)
O2^ii—Ba1—O6^vii	118.60 (9)	Tb1—O7—Ba1^x	102.88 (13)
O7^i—Ba1—Si1^v	93.08 (8)	Si2^iv—O7—Ba1^xii	101.50 (16)
O2^v—Ba1—Si1^v	27.83 (8)	Tb1—O7—Ba1^xii	109.60 (13)
O6^vi—Ba1—Si1^v	99.14 (7)	Ba1^x—O7—Ba1^xii	123.96 (12)

Symmetry codes: (i) x, y+1, z; (ii) −x+3/2, −y−1/2, −z+1; (iii) −x+2, −y, −z+1; (iv) −x+2, −y−1, −z+1; (v) −x+3/2, −y+1/2, −z+1; (vi) −x+3/2, y+1/2, −z+1/2; (vii) x−1/2, y+1/2, z; (viii) x−1/2, −y−1/2, z−1/2; (ix) x+1/2, −y−1/2, z+1/2; (x) x, y−1, z; (xi) −x+1, y, −z+1/2; (xii) −x+3/2, y−1/2, −z+1/2; (xiii) x+1/2, y−1/2, z.

(Dy)

Crystal data

Ba2Dy2O13Si4	F(000) = 1616
Mr = 920.04	Dx = 5.379 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.8478 (9) Å	Cell parameters from 3018 reflections
b = 5.2020 (6) Å	θ = 2.4–26.7°
c = 17.525 (3) Å	µ = 20.34 mm^−1
β = 104.077 (15)°	T = 298 K
V = 1136.1 (3) Å^3	Block, green
Z = 4	0.26 × 0.19 × 0.18 mm

Data collection

Rigaku AFC8S diffractometer	1190 independent reflections
Radiation source: fine-focus sealed tube	1130 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.075
ω scans	θmax = 26.7°, θmin = 3.3°
Absorption correction: multi-scan REQAB, CrystalClear	h = −16→16
Tmin = 0.405, Tmax = 1.000	k = −6→6
4778 measured reflections	l = −21→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.043	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.130	(Δ/σ)max = 0.001
S = 1.16	Δρmax = 1.90 e Å^−3
1190 reflections	Δρmin = −4.00 e Å^−3
97 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0043 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Dy1	0.88648 (3)	0.01023 (7)	0.41576 (3)	0.0076 (3)
Ba1	0.66244 (5)	0.49475 (8)	0.33307 (4)	0.0097 (3)
Si1	0.8806 (2)	−0.4678 (5)	0.54261 (16)	0.0080 (6)
Si2	1.0623 (2)	−0.5444 (5)	0.68300 (15)	0.0088 (5)
O1	0.9803 (4)	−0.6448 (11)	0.5994 (3)	0.0122 (11)
O2	0.7917 (5)	−0.4577 (12)	0.5946 (4)	0.0117 (12)
O3	0.9292 (4)	−0.1771 (11)	0.5366 (3)	0.0099 (11)
O4	0.8427 (4)	−0.6012 (12)	0.4583 (3)	0.0117 (11)
O5	0.5000	0.1406 (16)	0.2500	0.0121 (16)
O6	0.9182 (4)	0.2440 (12)	0.3123 (3)	0.0149 (12)
O7	0.8353 (4)	−0.2698 (11)	0.3078 (3)	0.0119 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Dy1	0.0057 (4)	0.0124 (4)	0.0059 (4)	−0.00007 (10)	0.0039 (2)	0.00022 (11)
Ba1	0.0080 (4)	0.0139 (4)	0.0084 (5)	−0.00187 (13)	0.0043 (3)	−0.00091 (14)
Si1	0.0061 (10)	0.0122 (11)	0.0070 (13)	−0.0011 (7)	0.0040 (9)	−0.0003 (8)
Si2	0.0072 (11)	0.0132 (10)	0.0068 (12)	−0.0003 (8)	0.0032 (9)	0.0004 (9)
O1	0.011 (2)	0.013 (3)	0.012 (3)	0.001 (2)	0.003 (2)	0.000 (2)
O2	0.006 (3)	0.019 (3)	0.012 (3)	0.000 (2)	0.007 (2)	−0.003 (2)
O3	0.009 (2)	0.013 (3)	0.008 (3)	0.001 (2)	0.002 (2)	−0.001 (2)
O4	0.011 (2)	0.015 (3)	0.009 (3)	0.001 (2)	0.003 (2)	0.001 (2)
O5	0.012 (3)	0.017 (4)	0.010 (4)	0.000	0.006 (3)	0.000
O6	0.015 (3)	0.019 (3)	0.012 (3)	−0.004 (2)	0.006 (2)	−0.003 (2)
O7	0.007 (2)	0.018 (3)	0.013 (3)	0.002 (2)	0.006 (2)	−0.002 (2)

Geometric parameters (Å, º)

Dy1—O2^i	2.268 (6)	Si1—Ba1^vi	3.420 (3)
Dy1—O4^ii	2.272 (6)	Si1—Ba1^i	3.627 (3)
Dy1—O3	2.274 (5)	Si2—O6^iii	1.581 (6)
Dy1—O6	2.300 (6)	Si2—O7^iv	1.609 (6)
Dy1—O7	2.351 (6)	Si2—O5^i	1.651 (4)
Dy1—O3^iii	2.468 (5)	Si2—O1	1.667 (6)
Dy1—O1^iv	2.615 (5)	Si2—Dy1^iv	3.139 (3)
Dy1—Si2^iv	3.139 (3)	Si2—Ba1^ix	3.523 (3)
Dy1—Si1	3.349 (3)	Si2—Ba1^iii	3.624 (2)
Dy1—Dy1^iii	3.6121 (11)	Si2—Ba1^i	3.676 (3)
Dy1—Ba1	3.8352 (8)	O1—Dy1^iv	2.615 (5)
Dy1—Ba1^v	3.9430 (7)	O1—Ba1^i	3.022 (6)
Ba1—O7^ii	2.666 (5)	O2—Dy1^i	2.268 (6)
Ba1—O2^vi	2.718 (7)	O2—Ba1^vi	2.718 (7)
Ba1—O4^ii	2.821 (5)	O2—Ba1^i	3.065 (7)
Ba1—O6^vii	2.821 (6)	O3—Dy1^iii	2.469 (5)
Ba1—O7^vii	2.833 (6)	O3—Ba1^vi	2.968 (5)
Ba1—O5	2.897 (5)	O4—Dy1^v	2.272 (6)
Ba1—O3^vi	2.968 (5)	O4—Ba1^v	2.821 (5)
Ba1—O1^i	3.022 (6)	O5—Si2^viii	1.651 (4)
Ba1—O2^i	3.065 (7)	O5—Si2^i	1.651 (4)
Ba1—Si1^vi	3.420 (3)	O5—Ba1^x	2.897 (5)
Ba1—Si2^viii	3.524 (3)	O6—Si2^iii	1.581 (6)
Ba1—Si2^iii	3.624 (3)	O6—Ba1^xi	2.821 (6)
Si1—O4	1.597 (6)	O7—Si2^iv	1.609 (6)
Si1—O2	1.627 (7)	O7—Ba1^v	2.666 (5)
Si1—O3	1.650 (6)	O7—Ba1^xi	2.833 (6)
Si1—O1	1.690 (6)
O2^i—Dy1—O4^ii	78.9 (2)	O1^i—Ba1—Si1^vi	88.65 (12)
O2^i—Dy1—O3	91.9 (2)	O2^i—Ba1—Si1^vi	115.93 (14)
O4^ii—Dy1—O3	95.6 (2)	O7^ii—Ba1—Si2^viii	110.45 (13)
O2^i—Dy1—O6	111.7 (2)	O2^vi—Ba1—Si2^viii	159.30 (16)
O4^ii—Dy1—O6	83.9 (2)	O4^ii—Ba1—Si2^viii	123.01 (13)
O3—Dy1—O6	155.74 (19)	O6^vii—Ba1—Si2^viii	69.17 (13)
O2^i—Dy1—O7	77.4 (2)	O7^vii—Ba1—Si2^viii	26.59 (11)
O4^ii—Dy1—O7	140.6 (2)	O5—Ba1—Si2^viii	27.67 (5)
O3—Dy1—O7	116.2 (2)	O3^vi—Ba1—Si2^viii	130.20 (11)
O6—Dy1—O7	76.2 (2)	O1^i—Ba1—Si2^viii	75.27 (12)
O2^i—Dy1—O3^iii	159.3 (2)	O2^i—Ba1—Si2^viii	72.61 (14)
O4^ii—Dy1—O3^iii	82.52 (18)	Si1^vi—Ba1—Si2^viii	150.20 (7)
O3—Dy1—O3^iii	80.9 (2)	O7^ii—Ba1—Si2^iii	23.99 (13)
O6—Dy1—O3^iii	75.02 (19)	O2^vi—Ba1—Si2^iii	82.41 (14)
O7—Dy1—O3^iii	123.19 (18)	O4^ii—Ba1—Si2^iii	56.03 (12)
O2^i—Dy1—O1^iv	125.2 (2)	O6^vii—Ba1—Si2^iii	92.75 (12)
O4^ii—Dy1—O1^iv	154.24 (18)	O7^vii—Ba1—Si2^iii	75.51 (11)
O3—Dy1—O1^iv	76.53 (18)	O5—Ba1—Si2^iii	127.12 (8)
O6—Dy1—O1^iv	93.35 (19)	O3^vi—Ba1—Si2^iii	127.90 (11)
O7—Dy1—O1^iv	61.95 (18)	O1^i—Ba1—Si2^iii	140.33 (11)
O3^iii—Dy1—O1^iv	72.07 (18)	O2^i—Ba1—Si2^iii	90.21 (12)
O2^i—Dy1—Si2^iv	101.85 (17)	Si1^vi—Ba1—Si2^iii	108.08 (6)
O4^ii—Dy1—Si2^iv	165.83 (15)	Si2^viii—Ba1—Si2^iii	100.10 (6)
O3—Dy1—Si2^iv	98.46 (15)	O4—Si1—O2	115.8 (3)
O6—Dy1—Si2^iv	82.67 (15)	O4—Si1—O3	112.0 (3)
O7—Dy1—Si2^iv	29.92 (13)	O2—Si1—O3	109.5 (3)
O3^iii—Dy1—Si2^iv	98.36 (13)	O4—Si1—O1	108.9 (3)
O1^iv—Dy1—Si2^iv	32.07 (13)	O2—Si1—O1	102.9 (3)
O2^i—Dy1—Si1	77.21 (18)	O3—Si1—O1	107.0 (3)
O4^ii—Dy1—Si1	113.28 (15)	O4—Si1—Dy1	76.1 (2)
O3—Dy1—Si1	26.21 (15)	O2—Si1—Dy1	118.7 (3)
O6—Dy1—Si1	162.31 (15)	O3—Si1—Dy1	37.5 (2)
O7—Dy1—Si1	91.54 (15)	O1—Si1—Dy1	131.2 (2)
O3^iii—Dy1—Si1	102.20 (14)	O4—Si1—Ba1^vi	147.3 (2)
O1^iv—Dy1—Si1	69.41 (13)	O2—Si1—Ba1^vi	51.3 (2)
Si2^iv—Dy1—Si1	80.46 (7)	O3—Si1—Ba1^vi	60.2 (2)
O2^i—Dy1—Dy1^iii	131.35 (18)	O1—Si1—Ba1^vi	103.5 (2)
O4^ii—Dy1—Dy1^iii	88.45 (14)	Dy1—Si1—Ba1^vi	85.51 (6)
O3—Dy1—Dy1^iii	42.43 (13)	O4—Si1—Ba1^i	99.8 (2)
O6—Dy1—Dy1^iii	113.41 (14)	O2—Si1—Ba1^i	57.1 (2)
O7—Dy1—Dy1^iii	130.67 (13)	O3—Si1—Ba1^i	147.9 (2)
O3^iii—Dy1—Dy1^iii	38.43 (13)	O1—Si1—Ba1^i	55.9 (2)
O1^iv—Dy1—Dy1^iii	69.08 (12)	Dy1—Si1—Ba1^i	172.51 (9)
Si2^iv—Dy1—Dy1^iii	101.07 (5)	Ba1^vi—Si1—Ba1^i	95.12 (7)
Si1—Dy1—Dy1^iii	65.14 (5)	O6^iii—Si2—O7^iv	118.2 (3)
O2^i—Dy1—Ba1	53.05 (17)	O6^iii—Si2—O5^i	111.1 (4)
O4^ii—Dy1—Ba1	46.88 (14)	O7^iv—Si2—O5^i	105.8 (3)
O3—Dy1—Ba1	128.51 (13)	O6^iii—Si2—O1	114.4 (3)
O6—Dy1—Ba1	67.38 (14)	O7^iv—Si2—O1	103.1 (3)
O7—Dy1—Ba1	93.77 (13)	O5^i—Si2—O1	102.6 (3)
O3^iii—Dy1—Ba1	117.82 (13)	O6^iii—Si2—Dy1^iv	137.7 (2)
O1^iv—Dy1—Ba1	152.78 (13)	O7^iv—Si2—Dy1^iv	46.8 (2)
Si2^iv—Dy1—Ba1	122.52 (5)	O5^i—Si2—Dy1^iv	111.2 (3)
Si1—Dy1—Ba1	127.08 (5)	O1—Si2—Dy1^iv	56.4 (2)
Dy1^iii—Dy1—Ba1	135.31 (2)	O6^iii—Si2—Ba1^ix	126.4 (2)
O2^i—Dy1—Ba1^v	41.95 (17)	O7^iv—Si2—Ba1^ix	52.0 (2)
O4^ii—Dy1—Ba1^v	120.59 (13)	O5^i—Si2—Ba1^ix	54.54 (19)
O3—Dy1—Ba1^v	92.31 (14)	O1—Si2—Ba1^ix	119.1 (2)
O6—Dy1—Ba1^v	108.85 (14)	Dy1^iv—Si2—Ba1^ix	79.09 (6)
O7—Dy1—Ba1^v	41.11 (13)	O6^iii—Si2—Ba1^iii	77.8 (2)
O3^iii—Dy1—Ba1^v	156.60 (13)	O7^iv—Si2—Ba1^iii	42.3 (2)
O1^iv—Dy1—Ba1^v	84.59 (12)	O5^i—Si2—Ba1^iii	136.69 (14)
Si2^iv—Dy1—Ba1^v	60.30 (5)	O1—Si2—Ba1^iii	112.0 (2)
Si1—Dy1—Ba1^v	66.84 (5)	Dy1^iv—Si2—Ba1^iii	70.91 (5)
Dy1^iii—Dy1—Ba1^v	130.74 (2)	Ba1^ix—Si2—Ba1^iii	85.37 (6)
Ba1—Dy1—Ba1^v	83.936 (18)	O6^iii—Si2—Ba1^i	138.2 (2)
O7^ii—Ba1—O2^vi	64.86 (18)	O7^iv—Si2—Ba1^i	103.5 (2)
O7^ii—Ba1—O4^ii	69.58 (17)	O5^i—Si2—Ba1^i	49.73 (19)
O2^vi—Ba1—O4^ii	75.53 (19)	O1—Si2—Ba1^i	54.3 (2)
O7^ii—Ba1—O6^vii	77.10 (17)	Dy1^iv—Si2—Ba1^i	74.44 (5)
O2^vi—Ba1—O6^vii	90.24 (19)	Ba1^ix—Si2—Ba1^i	76.75 (5)
O4^ii—Ba1—O6^vii	146.67 (16)	Ba1^iii—Si2—Ba1^i	143.38 (8)
O7^ii—Ba1—O7^vii	83.85 (12)	Si2—O1—Si1	125.0 (4)
O2^vi—Ba1—O7^vii	142.14 (19)	Si2—O1—Dy1^iv	91.6 (2)
O4^ii—Ba1—O7^vii	114.31 (16)	Si1—O1—Dy1^iv	139.2 (3)
O6^vii—Ba1—O7^vii	61.03 (17)	Si2—O1—Ba1^i	99.1 (3)
O7^ii—Ba1—O5	137.42 (13)	Si1—O1—Ba1^i	96.5 (2)
O2^vi—Ba1—O5	147.76 (17)	Dy1^iv—O1—Ba1^i	94.38 (17)
O4^ii—Ba1—O5	129.29 (17)	Si1—O2—Dy1^i	141.6 (4)
O6^vii—Ba1—O5	77.12 (16)	Si1—O2—Ba1^vi	100.8 (3)
O7^vii—Ba1—O5	53.98 (11)	Dy1^i—O2—Ba1^vi	104.2 (2)
O7^ii—Ba1—O3^vi	118.91 (16)	Si1—O2—Ba1^i	96.4 (3)
O2^vi—Ba1—O3^vi	55.95 (18)	Dy1^i—O2—Ba1^i	90.7 (2)
O4^ii—Ba1—O3^vi	82.08 (15)	Ba1^vi—O2—Ba1^i	128.1 (3)
O6^vii—Ba1—O3^vi	114.87 (15)	Si1—O3—Dy1	116.3 (3)
O7^vii—Ba1—O3^vi	156.33 (14)	Si1—O3—Dy1^iii	130.4 (3)
O5—Ba1—O3^vi	102.57 (11)	Dy1—O3—Dy1^iii	99.1 (2)
O7^ii—Ba1—O1^i	162.01 (16)	Si1—O3—Ba1^vi	91.0 (2)
O2^vi—Ba1—O1^i	115.76 (18)	Dy1—O3—Ba1^vi	121.9 (2)
O4^ii—Ba1—O1^i	92.87 (16)	Dy1^iii—O3—Ba1^vi	98.92 (17)
O6^vii—Ba1—O1^i	120.40 (16)	Si1—O4—Dy1^v	130.3 (3)
O7^vii—Ba1—O1^i	100.64 (16)	Si1—O4—Ba1^v	130.6 (3)
O5—Ba1—O1^i	51.84 (12)	Dy1^v—O4—Ba1^v	97.11 (19)
O3^vi—Ba1—O1^i	59.93 (16)	Si2^viii—O5—Si2^i	144.7 (6)
O7^ii—Ba1—O2^i	113.77 (17)	Si2^viii—O5—Ba1^x	104.48 (17)
O2^vi—Ba1—O2^i	128.1 (3)	Si2^i—O5—Ba1^x	97.79 (17)
O4^ii—Ba1—O2^i	58.54 (17)	Si2^viii—O5—Ba1	97.79 (17)
O6^vii—Ba1—O2^i	141.59 (18)	Si2^i—O5—Ba1	104.48 (17)
O7^vii—Ba1—O2^i	82.87 (17)	Ba1^x—O5—Ba1	101.0 (3)
O5—Ba1—O2^i	70.78 (18)	Si2^iii—O6—Dy1	122.5 (3)
O3^vi—Ba1—O2^i	92.62 (17)	Si2^iii—O6—Ba1^xi	121.3 (3)
O1^i—Ba1—O2^i	50.44 (15)	Dy1—O6—Ba1^xi	111.9 (2)
O7^ii—Ba1—Si1^vi	92.61 (13)	Si2^iv—O7—Dy1	103.3 (3)
O2^vi—Ba1—Si1^vi	27.86 (14)	Si2^iv—O7—Ba1^v	113.7 (3)
O4^ii—Ba1—Si1^vi	82.01 (12)	Dy1—O7—Ba1^v	103.4 (2)
O6^vii—Ba1—Si1^vi	99.43 (13)	Si2^iv—O7—Ba1^xi	101.4 (3)
O7^vii—Ba1—Si1^vi	160.45 (13)	Dy1—O7—Ba1^xi	109.9 (2)
O5—Ba1—Si1^vi	124.71 (9)	Ba1^v—O7—Ba1^xi	123.6 (2)
O3^vi—Ba1—Si1^vi	28.84 (12)

Symmetry codes: (i) −x+3/2, −y−1/2, −z+1; (ii) x, y+1, z; (iii) −x+2, −y, −z+1; (iv) −x+2, −y−1, −z+1; (v) x, y−1, z; (vi) −x+3/2, −y+1/2, −z+1; (vii) −x+3/2, y+1/2, −z+1/2; (viii) x−1/2, −y−1/2, z−1/2; (ix) x+1/2, −y−1/2, z+1/2; (x) −x+1, y, −z+1/2; (xi) −x+3/2, y−1/2, −z+1/2.

(Ho)

Crystal data

Ba2Ho2O13Si4	F(000) = 1624
Mr = 924.90	Dx = 5.432 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.8127 (7) Å	Cell parameters from 2892 reflections
b = 5.1934 (5) Å	θ = 2.4–26.7°
c = 17.514 (3) Å	µ = 21.21 mm^−1
β = 103.971 (12)°	T = 298 K
V = 1130.9 (2) Å^3	Block, pink
Z = 4	0.27 × 0.25 × 0.22 mm

Data collection

Rigaku AFC8S diffractometer	1182 independent reflections
Radiation source: fine-focus sealed tube	1104 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.050
ω scans	θmax = 26.7°, θmin = 2.4°
Absorption correction: multi-scan REQAB, CrystalClear	h = −16→14
Tmin = 0.523, Tmax = 1.000	k = −6→6
4762 measured reflections	l = −21→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.035	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.103	(Δ/σ)max = 0.001
S = 1.13	Δρmax = 2.12 e Å^−3
1182 reflections	Δρmin = −3.12 e Å^−3
97 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0081 (3)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ho1	0.88679 (3)	0.01047 (6)	0.41597 (2)	0.0078 (2)
Ba1	0.66256 (4)	0.49473 (7)	0.33300 (3)	0.0100 (2)
Si1	0.8803 (2)	−0.4681 (4)	0.54234 (14)	0.0085 (5)
Si2	1.06245 (18)	−0.5449 (4)	0.68267 (13)	0.0089 (5)
O1	0.9795 (4)	−0.6463 (9)	0.5988 (3)	0.0116 (10)
O2	0.7911 (5)	−0.4564 (11)	0.5940 (3)	0.0122 (11)
O3	0.9295 (4)	−0.1774 (9)	0.5368 (3)	0.0107 (10)
O4	0.8428 (4)	−0.6024 (10)	0.4583 (3)	0.0123 (10)
O5	0.5000	0.1411 (13)	0.2500	0.0117 (14)
O6	0.9187 (4)	0.2425 (10)	0.3125 (3)	0.0159 (11)
O7	0.8355 (4)	−0.2686 (10)	0.3082 (3)	0.0141 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ho1	0.0100 (3)	0.0085 (3)	0.0060 (3)	−0.00013 (9)	0.0043 (2)	0.00006 (9)
Ba1	0.0124 (4)	0.0104 (3)	0.0084 (4)	−0.00184 (12)	0.0046 (3)	−0.00093 (12)
Si1	0.0103 (10)	0.0082 (9)	0.0080 (12)	−0.0001 (7)	0.0042 (8)	−0.0005 (7)
Si2	0.0124 (10)	0.0082 (9)	0.0079 (10)	0.0002 (8)	0.0057 (8)	−0.0001 (7)
O1	0.017 (3)	0.008 (2)	0.010 (2)	0.0010 (19)	0.004 (2)	−0.0002 (18)
O2	0.012 (3)	0.016 (2)	0.011 (3)	0.001 (2)	0.007 (2)	−0.002 (2)
O3	0.014 (2)	0.008 (2)	0.009 (2)	−0.0023 (19)	0.0018 (19)	0.0012 (18)
O4	0.015 (2)	0.012 (3)	0.010 (2)	0.002 (2)	0.004 (2)	−0.0023 (19)
O5	0.023 (4)	0.009 (3)	0.007 (3)	0.000	0.010 (3)	0.000
O6	0.023 (3)	0.014 (3)	0.013 (3)	−0.004 (2)	0.009 (2)	−0.002 (2)
O7	0.014 (2)	0.014 (2)	0.016 (3)	0.0022 (19)	0.006 (2)	0.001 (2)

Geometric parameters (Å, º)

Ho1—O4^i	2.260 (5)	Si1—Ba1^vi	3.419 (2)
Ho1—O2^ii	2.262 (6)	Si1—Ba1^ii	3.623 (2)
Ho1—O3	2.274 (5)	Si2—O6^iii	1.588 (6)
Ho1—O6	2.295 (5)	Si2—O7^iv	1.604 (5)
Ho1—O7	2.345 (5)	Si2—O5^ii	1.654 (3)
Ho1—O3^iii	2.457 (5)	Si2—O1	1.677 (5)
Ho1—O1^iv	2.606 (5)	Si2—Ho1^iv	3.130 (2)
Ho1—Si2^iv	3.130 (2)	Si2—Ba1^x	3.522 (2)
Ho1—Si1	3.342 (2)	Si2—Ba1^iii	3.609 (2)
Ho1—Ho1^iii	3.6011 (9)	Si2—Ba1^ii	3.669 (2)
Ho1—Ba1	3.8308 (7)	O1—Ho1^iv	2.606 (5)
Ho1—Ba1^v	3.9401 (6)	O1—Ba1^ii	3.011 (5)
Ba1—O7^i	2.659 (5)	O2—Ho1^ii	2.261 (6)
Ba1—O2^vi	2.715 (6)	O2—Ba1^vi	2.715 (6)
Ba1—O6^vii	2.819 (5)	O2—Ba1^ii	3.072 (6)
Ba1—O4^i	2.821 (5)	O3—Ho1^iii	2.457 (5)
Ba1—O7^vii	2.831 (5)	O3—Ba1^vi	2.965 (5)
Ba1—O5	2.892 (4)	O4—Ho1^v	2.260 (5)
Ba1—O3^vi	2.965 (5)	O4—Ba1^v	2.821 (5)
Ba1—O1^ii	3.011 (5)	O5—Si2^ix	1.654 (3)
Ba1—O2^ii	3.072 (6)	O5—Si2^ii	1.654 (3)
Ba1—O6^viii	3.317 (6)	O5—Ba1^xi	2.892 (4)
Ba1—Si1^vi	3.419 (2)	O6—Si2^iii	1.588 (5)
Ba1—Si2^ix	3.522 (2)	O6—Ba1^xii	2.819 (5)
Si1—O4	1.595 (5)	O6—Ba1^xiii	3.317 (6)
Si1—O2	1.620 (6)	O7—Si2^iv	1.604 (5)
Si1—O3	1.648 (5)	O7—Ba1^v	2.660 (5)
Si1—O1	1.686 (5)	O7—Ba1^xii	2.831 (5)
O4^i—Ho1—O2^ii	79.01 (19)	O2^ii—Ba1—O6^viii	118.71 (14)
O4^i—Ho1—O3	95.74 (18)	O7^i—Ba1—Si1^vi	92.32 (12)
O2^ii—Ho1—O3	91.72 (19)	O2^vi—Ba1—Si1^vi	27.70 (13)
O4^i—Ho1—O6	84.13 (19)	O6^vii—Ba1—Si1^vi	99.65 (11)
O2^ii—Ho1—O6	111.9 (2)	O4^i—Ba1—Si1^vi	81.92 (11)
O3—Ho1—O6	155.77 (18)	O7^vii—Ba1—Si1^vi	160.34 (11)
O4^i—Ho1—O7	140.36 (18)	O5—Ba1—Si1^vi	124.79 (8)
O2^ii—Ho1—O7	77.28 (19)	O3^vi—Ba1—Si1^vi	28.81 (10)
O3—Ho1—O7	116.21 (17)	O1^ii—Ba1—Si1^vi	88.46 (10)
O6—Ho1—O7	75.96 (18)	O2^ii—Ba1—Si1^vi	115.66 (12)
O4^i—Ho1—O3^iii	82.52 (17)	O6^viii—Ba1—Si1^vi	59.88 (10)
O2^ii—Ho1—O3^iii	159.34 (19)	O7^i—Ba1—Si2^ix	110.60 (12)
O3—Ho1—O3^iii	80.92 (18)	O2^vi—Ba1—Si2^ix	159.51 (13)
O6—Ho1—O3^iii	75.03 (17)	O6^vii—Ba1—Si2^ix	68.84 (11)
O7—Ho1—O3^iii	123.29 (18)	O4^i—Ba1—Si2^ix	123.01 (11)
O4^i—Ho1—O1^iv	154.11 (17)	O7^vii—Ba1—Si2^ix	26.51 (11)
O2^ii—Ho1—O1^iv	125.23 (18)	O5—Ba1—Si2^ix	27.73 (5)
O3—Ho1—O1^iv	76.37 (17)	O3^vi—Ba1—Si2^ix	130.28 (10)
O6—Ho1—O1^iv	93.21 (17)	O1^ii—Ba1—Si2^ix	75.65 (10)
O7—Ho1—O1^iv	62.29 (16)	O2^ii—Ba1—Si2^ix	72.93 (12)
O3^iii—Ho1—O1^iv	71.96 (16)	O6^viii—Ba1—Si2^ix	90.73 (10)
O4^i—Ho1—Si2^iv	165.78 (14)	Si1^vi—Ba1—Si2^ix	150.31 (6)
O2^ii—Ho1—Si2^iv	101.63 (15)	O4—Si1—O2	115.9 (3)
O3—Ho1—Si2^iv	98.43 (13)	O4—Si1—O3	112.3 (3)
O6—Ho1—Si2^iv	82.48 (13)	O2—Si1—O3	109.3 (3)
O7—Ho1—Si2^iv	29.92 (13)	O4—Si1—O1	108.5 (3)
O3^iii—Ho1—Si2^iv	98.55 (12)	O2—Si1—O1	103.1 (3)
O1^iv—Ho1—Si2^iv	32.39 (12)	O3—Si1—O1	107.0 (3)
O4^i—Ho1—Si1	113.35 (14)	O4—Si1—Ho1	76.3 (2)
O2^ii—Ho1—Si1	76.86 (15)	O2—Si1—Ho1	118.4 (2)
O3—Ho1—Si1	26.30 (13)	O3—Si1—Ho1	37.69 (18)
O6—Ho1—Si1	162.08 (14)	O1—Si1—Ho1	131.3 (2)
O7—Ho1—Si1	91.52 (13)	O4—Si1—Ba1^vi	147.7 (2)
O3^iii—Ho1—Si1	102.39 (12)	O2—Si1—Ba1^vi	51.2 (2)
O1^iv—Ho1—Si1	69.40 (12)	O3—Si1—Ba1^vi	60.13 (18)
Si2^iv—Ho1—Si1	80.38 (6)	O1—Si1—Ba1^vi	103.59 (19)
O4^i—Ho1—Ho1^iii	88.53 (13)	Ho1—Si1—Ba1^vi	85.51 (5)
O2^ii—Ho1—Ho1^iii	131.10 (15)	O4—Si1—Ba1^ii	99.8 (2)
O3—Ho1—Ho1^iii	42.35 (12)	O2—Si1—Ba1^ii	57.5 (2)
O6—Ho1—Ho1^iii	113.54 (14)	O3—Si1—Ba1^ii	147.5 (2)
O7—Ho1—Ho1^iii	130.80 (12)	O1—Si1—Ba1^ii	55.59 (18)
O3^iii—Ho1—Ho1^iii	38.57 (11)	Ho1—Si1—Ba1^ii	172.75 (8)
O1^iv—Ho1—Ho1^iii	68.89 (11)	Ba1^vi—Si1—Ba1^ii	94.99 (6)
Si2^iv—Ho1—Ho1^iii	101.19 (4)	O6^iii—Si2—O7^iv	118.8 (3)
Si1—Ho1—Ho1^iii	65.19 (4)	O6^iii—Si2—O5^ii	110.7 (3)
O4^i—Ho1—Ba1	46.92 (13)	O7^iv—Si2—O5^ii	105.6 (3)
O2^ii—Ho1—Ba1	53.31 (15)	O6^iii—Si2—O1	114.4 (3)
O3—Ho1—Ba1	128.67 (13)	O7^iv—Si2—O1	103.1 (3)
O6—Ho1—Ba1	67.41 (14)	O5^ii—Si2—O1	102.5 (2)
O7—Ho1—Ba1	93.53 (12)	O6^iii—Si2—Ho1^iv	138.1 (2)
O3^iii—Ho1—Ba1	117.76 (11)	O7^iv—Si2—Ho1^iv	46.8 (2)
O1^iv—Ho1—Ba1	152.82 (11)	O5^ii—Si2—Ho1^iv	111.2 (2)
Si2^iv—Ho1—Ba1	122.31 (4)	O1—Si2—Ho1^iv	56.36 (18)
Si1—Ho1—Ba1	127.08 (4)	O6^iii—Si2—Ba1^x	126.3 (2)
Ho1^iii—Ho1—Ba1	135.423 (17)	O7^iv—Si2—Ba1^x	52.0 (2)
O4^i—Ho1—Ba1^v	120.55 (13)	O5^ii—Si2—Ba1^x	54.42 (16)
O2^ii—Ho1—Ba1^v	41.88 (14)	O1—Si2—Ba1^x	119.1 (2)
O3—Ho1—Ba1^v	92.39 (12)	Ho1^iv—Si2—Ba1^x	79.25 (5)
O6—Ho1—Ba1^v	108.60 (13)	O6^iii—Si2—Ba1^iii	78.1 (2)
O7—Ho1—Ba1^v	40.98 (13)	O7^iv—Si2—Ba1^iii	42.6 (2)
O3^iii—Ho1—Ba1^v	156.65 (12)	O5^ii—Si2—Ba1^iii	136.49 (12)
O1^iv—Ho1—Ba1^v	84.75 (11)	O1—Si2—Ba1^iii	112.3 (2)
Si2^iv—Ho1—Ba1^v	60.10 (4)	Ho1^iv—Si2—Ba1^iii	71.15 (4)
Si1—Ho1—Ba1^v	66.81 (4)	Ba1^x—Si2—Ba1^iii	85.34 (5)
Ho1^iii—Ho1—Ba1^v	130.749 (17)	O6^iii—Si2—Ba1^ii	137.7 (2)
Ba1—Ho1—Ba1^v	83.862 (15)	O7^iv—Si2—Ba1^ii	103.3 (2)
O7^i—Ba1—O2^vi	64.72 (17)	O5^ii—Si2—Ba1^ii	49.79 (15)
O7^i—Ba1—O6^vii	77.41 (16)	O1—Si2—Ba1^ii	54.14 (19)
O2^vi—Ba1—O6^vii	90.78 (17)	Ho1^iv—Si2—Ba1^ii	74.40 (5)
O7^i—Ba1—O4^i	69.61 (16)	Ba1^x—Si2—Ba1^ii	76.78 (5)
O2^vi—Ba1—O4^i	75.33 (16)	Ba1^iii—Si2—Ba1^ii	143.53 (7)
O6^vii—Ba1—O4^i	147.02 (16)	Si2—O1—Si1	124.7 (3)
O7^i—Ba1—O7^vii	84.09 (12)	Si2—O1—Ho1^iv	91.3 (2)
O2^vi—Ba1—O7^vii	142.29 (17)	Si1—O1—Ho1^iv	139.6 (3)
O6^vii—Ba1—O7^vii	60.70 (15)	Si2—O1—Ba1^ii	99.0 (2)
O4^i—Ba1—O7^vii	114.49 (15)	Si1—O1—Ba1^ii	96.9 (2)
O7^i—Ba1—O5	137.62 (12)	Ho1^iv—O1—Ba1^ii	94.47 (15)
O2^vi—Ba1—O5	147.85 (16)	Si1—O2—Ho1^ii	141.8 (3)
O6^vii—Ba1—O5	76.80 (14)	Si1—O2—Ba1^vi	101.1 (3)
O4^i—Ba1—O5	129.24 (15)	Ho1^ii—O2—Ba1^vi	104.3 (2)
O7^vii—Ba1—O5	53.94 (11)	Si1—O2—Ba1^ii	96.1 (2)
O7^i—Ba1—O3^vi	118.66 (15)	Ho1^ii—O2—Ba1^ii	90.51 (18)
O2^vi—Ba1—O3^vi	55.75 (16)	Ba1^vi—O2—Ba1^ii	127.5 (2)
O6^vii—Ba1—O3^vi	114.84 (14)	Si1—O3—Ho1	116.0 (3)
O4^i—Ba1—O3^vi	82.08 (14)	Si1—O3—Ho1^iii	130.8 (3)
O7^vii—Ba1—O3^vi	156.27 (14)	Ho1—O3—Ho1^iii	99.08 (18)
O5—Ba1—O3^vi	102.58 (10)	Si1—O3—Ba1^vi	91.1 (2)
O7^i—Ba1—O1^ii	161.78 (15)	Ho1—O3—Ba1^vi	121.82 (19)
O2^vi—Ba1—O1^ii	115.35 (16)	Ho1^iii—O3—Ba1^vi	98.90 (16)
O6^vii—Ba1—O1^ii	120.41 (15)	Si1—O4—Ho1^v	130.4 (3)
O4^i—Ba1—O1^ii	92.51 (14)	Si1—O4—Ba1^v	130.3 (3)
O7^vii—Ba1—O1^ii	100.95 (14)	Ho1^v—O4—Ba1^v	97.26 (17)
O5—Ba1—O1^ii	52.18 (10)	Si2^ix—O5—Si2^ii	144.8 (5)
O3^vi—Ba1—O1^ii	59.75 (13)	Si2^ix—O5—Ba1^xi	104.31 (14)
O7^i—Ba1—O2^ii	113.82 (16)	Si2^ii—O5—Ba1^xi	97.85 (14)
O2^vi—Ba1—O2^ii	127.5 (2)	Si2^ix—O5—Ba1	97.85 (14)
O6^vii—Ba1—O2^ii	141.60 (16)	Si2^ii—O5—Ba1	104.31 (14)
O4^i—Ba1—O2^ii	58.25 (15)	Ba1^xi—O5—Ba1	101.1 (2)
O7^vii—Ba1—O2^ii	83.25 (15)	Si2^iii—O6—Ho1	122.1 (3)
O5—Ba1—O2^ii	71.01 (15)	Si2^iii—O6—Ba1^xii	121.2 (3)
O3^vi—Ba1—O2^ii	92.50 (14)	Ho1—O6—Ba1^xii	112.1 (2)
O1^ii—Ba1—O2^ii	50.38 (14)	Si2^iii—O6—Ba1^xiii	104.5 (3)
O7^i—Ba1—O6^viii	127.08 (14)	Ho1—O6—Ba1^xiii	93.07 (17)
O2^vi—Ba1—O6^viii	78.55 (15)	Ba1^xii—O6—Ba1^xiii	93.08 (14)
O6^vii—Ba1—O6^viii	65.93 (17)	Si2^iv—O7—Ho1	103.3 (3)
O4^i—Ba1—O6^viii	136.62 (14)	Si2^iv—O7—Ba1^v	113.3 (3)
O7^vii—Ba1—O6^viii	107.43 (14)	Ho1—O7—Ba1^v	103.70 (19)
O5—Ba1—O6^viii	69.31 (13)	Si2^iv—O7—Ba1^xii	101.5 (2)
O3^vi—Ba1—O6^viii	54.56 (13)	Ho1—O7—Ba1^xii	110.16 (19)
O1^ii—Ba1—O6^viii	68.44 (13)	Ba1^v—O7—Ba1^xii	123.33 (19)

Symmetry codes: (i) x, y+1, z; (ii) −x+3/2, −y−1/2, −z+1; (iii) −x+2, −y, −z+1; (iv) −x+2, −y−1, −z+1; (v) x, y−1, z; (vi) −x+3/2, −y+1/2, −z+1; (vii) −x+3/2, y+1/2, −z+1/2; (viii) x−1/2, y+1/2, z; (ix) x−1/2, −y−1/2, z−1/2; (x) x+1/2, −y−1/2, z+1/2; (xi) −x+1, y, −z+1/2; (xii) −x+3/2, y−1/2, −z+1/2; (xiii) x+1/2, y−1/2, z.

(Er)

Crystal data

Ba2Er2F2O12Si4	Z = 1
Mr = 951.56	F(000) = 418
Triclinic, P1	Dx = 4.873 Mg m^−3
a = 5.476 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.166 (6) Å	Cell parameters from 1898 reflections
c = 8.958 (8) Å	θ = 2.5–26.7°
α = 108.138 (18)°	µ = 19.25 mm^−1
β = 102.03 (2)°	T = 298 K
γ = 92.742 (19)°	Block, pink
V = 324.3 (4) Å^3	0.15 × 0.14 × 0.12 mm

Data collection

Rigaku AFC8S diffractometer	1168 independent reflections
Radiation source: fine-focus sealed tube	1114 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.035
ω scans	θmax = 25.2°, θmin = 3.0°
Absorption correction: multi-scan REQAB, CrystalClear	h = −6→6
Tmin = 0.469, Tmax = 1.000	k = −8→8
2675 measured reflections	l = −10→10

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.035	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.094	(Δ/σ)max < 0.001
S = 1.15	Δρmax = 2.35 e Å^−3
1168 reflections	Δρmin = −3.30 e Å^−3
101 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0104 (12)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.76057 (10)	0.25712 (8)	0.04472 (6)	0.0144 (2)
Er1	0.16296 (7)	0.14956 (6)	0.70128 (4)	0.0115 (2)
Si1	0.3837 (5)	0.1771 (4)	0.3689 (3)	0.0111 (5)
Si2	0.6772 (4)	0.4417 (4)	0.7105 (3)	0.0103 (5)
O1	0.6111 (12)	0.3101 (10)	0.5199 (7)	0.0155 (14)
O2	0.1672 (12)	0.0900 (10)	0.4380 (8)	0.0162 (14)
O3	0.2546 (12)	0.3274 (9)	0.2769 (8)	0.0143 (13)
O4	0.5019 (12)	0.0134 (9)	0.2479 (8)	0.0155 (13)
O5	0.4479 (12)	0.4178 (10)	0.7926 (8)	0.0155 (14)
O6	0.9269 (12)	0.3812 (9)	0.8052 (8)	0.0143 (14)
F1	0.1524 (13)	0.0975 (9)	0.9272 (7)	0.0263 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0151 (4)	0.0125 (4)	0.0135 (4)	0.0016 (2)	0.0017 (2)	0.0024 (2)
Er1	0.0111 (3)	0.0112 (3)	0.0107 (3)	0.00044 (18)	0.00130 (18)	0.0026 (2)
Si1	0.0118 (12)	0.0109 (12)	0.0096 (12)	−0.0001 (9)	0.0022 (9)	0.0024 (9)
Si2	0.0091 (11)	0.0108 (12)	0.0107 (12)	0.0004 (9)	0.0015 (9)	0.0037 (9)
O1	0.015 (3)	0.020 (3)	0.007 (3)	−0.001 (3)	0.001 (2)	−0.001 (3)
O2	0.018 (3)	0.013 (3)	0.017 (3)	−0.001 (3)	0.005 (3)	0.003 (3)
O3	0.021 (3)	0.008 (3)	0.011 (3)	0.000 (2)	−0.002 (3)	0.005 (3)
O4	0.015 (3)	0.012 (3)	0.013 (3)	0.003 (3)	−0.002 (2)	0.000 (3)
O5	0.015 (3)	0.015 (3)	0.021 (4)	0.002 (3)	0.012 (3)	0.007 (3)
O6	0.014 (3)	0.010 (3)	0.013 (3)	0.001 (2)	−0.001 (2)	−0.002 (3)
F1	0.041 (4)	0.027 (3)	0.022 (3)	0.015 (3)	0.016 (3)	0.016 (3)

Geometric parameters (Å, º)

Ba1—F1^i	2.685 (6)	Si1—O4	1.594 (7)
Ba1—F1^ii	2.729 (6)	Si1—O2	1.629 (7)
Ba1—O5^iii	2.773 (7)	Si1—O1	1.634 (6)
Ba1—O4^iv	2.774 (6)	Si1—O3	1.650 (7)
Ba1—O6^v	2.811 (7)	Si2—O6	1.606 (7)
Ba1—O6^vi	2.855 (7)	Si2—O5	1.609 (7)
Ba1—O3^vii	2.961 (7)	Si2—O1	1.626 (6)
Ba1—O5^vi	3.091 (7)	Si2—O3^iii	1.643 (7)
Ba1—F1^vi	3.306 (7)	Si2—Ba1^v	3.542 (3)
Ba1—Si2^v	3.542 (3)	Si2—Ba1^x	3.588 (3)
Ba1—Si2^vi	3.588 (3)	O2—Er1^ix	2.280 (7)
Ba1—Er1^vi	3.854 (2)	O3—Si2^iii	1.643 (7)
Er1—F1	2.181 (6)	O3—Ba1^viii	2.961 (7)
Er1—O5	2.236 (7)	O4—Er1^i	2.264 (7)
Er1—O6^viii	2.244 (6)	O4—Ba1^iv	2.774 (6)
Er1—O4^i	2.264 (7)	O5—Ba1^iii	2.773 (7)
Er1—O2	2.268 (7)	O5—Ba1^x	3.091 (7)
Er1—O2^ix	2.280 (7)	O6—Er1^vii	2.244 (6)
Er1—Si2	3.398 (3)	O6—Ba1^v	2.811 (7)
Er1—Er1^ix	3.595 (3)	O6—Ba1^x	2.855 (7)
Er1—Ba1^x	3.854 (2)	F1—Ba1^i	2.685 (6)
Er1—Ba1^xi	4.053 (3)	F1—Ba1^xi	2.729 (6)
Er1—Ba1^iii	4.103 (3)	F1—Ba1^x	3.306 (7)
Er1—Ba1^i	4.206 (3)
F1^i—Ba1—F1^ii	64.1 (2)	F1—Er1—Ba1^x	58.91 (19)
F1^i—Ba1—O5^iii	136.53 (19)	O5—Er1—Ba1^x	53.31 (18)
F1^ii—Ba1—O5^iii	150.25 (19)	O6^viii—Er1—Ba1^x	102.81 (16)
F1^i—Ba1—O4^iv	75.5 (2)	O4^i—Er1—Ba1^x	45.26 (16)
F1^ii—Ba1—O4^iv	80.1 (2)	O2—Er1—Ba1^x	123.90 (17)
O5^iii—Ba1—O4^iv	121.8 (2)	O2^ix—Er1—Ba1^x	140.57 (17)
F1^i—Ba1—O6^v	128.0 (2)	Si2—Er1—Ba1^x	58.91 (6)
F1^ii—Ba1—O6^v	88.3 (2)	Er1^ix—Er1—Ba1^x	147.34 (3)
O5^iii—Ba1—O6^v	62.1 (2)	F1—Er1—Ba1^xi	39.01 (17)
O4^iv—Ba1—O6^v	145.3 (2)	O5—Er1—Ba1^xi	102.47 (17)
F1^i—Ba1—O6^vi	120.37 (19)	O6^viii—Er1—Ba1^xi	42.97 (18)
F1^ii—Ba1—O6^vi	60.46 (18)	O4^i—Er1—Ba1^xi	113.73 (18)
O5^iii—Ba1—O6^vi	103.02 (19)	O2—Er1—Ba1^xi	148.13 (17)
O4^iv—Ba1—O6^vi	75.2 (2)	O2^ix—Er1—Ba1^xi	82.30 (17)
O6^v—Ba1—O6^vi	70.6 (2)	Si2—Er1—Ba1^xi	125.57 (5)
F1^i—Ba1—O3^vii	74.63 (19)	Er1^ix—Er1—Ba1^xi	116.80 (6)
F1^ii—Ba1—O3^vii	62.7 (2)	Ba1^x—Er1—Ba1^xi	87.62 (7)
O5^iii—Ba1—O3^vii	98.55 (19)	F1—Er1—Ba1^iii	87.11 (17)
O4^iv—Ba1—O3^vii	139.69 (18)	O5—Er1—Ba1^iii	39.55 (17)
O6^v—Ba1—O3^vii	53.38 (18)	O6^viii—Er1—Ba1^iii	40.64 (17)
O6^vi—Ba1—O3^vii	97.57 (19)	O4^i—Er1—Ba1^iii	116.85 (16)
F1^i—Ba1—O5^vi	137.36 (18)	O2—Er1—Ba1^iii	112.43 (17)
F1^ii—Ba1—O5^vi	108.08 (18)	O2^ix—Er1—Ba1^iii	135.35 (17)
O5^iii—Ba1—O5^vi	71.7 (2)	Si2—Er1—Ba1^iii	61.20 (6)
O4^iv—Ba1—O5^vi	61.93 (19)	Er1^ix—Er1—Ba1^iii	133.79 (2)
O6^v—Ba1—O5^vi	91.58 (19)	Ba1^x—Er1—Ba1^iii	73.36 (3)
O6^vi—Ba1—O5^vi	52.35 (18)	Ba1^xi—Er1—Ba1^iii	69.05 (3)
O3^vii—Ba1—O5^vi	142.21 (18)	F1—Er1—Ba1^i	33.85 (16)
F1^i—Ba1—F1^vi	88.63 (18)	O5—Er1—Ba1^i	117.47 (18)
F1^ii—Ba1—F1^vi	130.0 (2)	O6^viii—Er1—Ba1^i	110.30 (18)
O5^iii—Ba1—F1^vi	77.69 (18)	O4^i—Er1—Ba1^i	52.35 (18)
O4^iv—Ba1—F1^vi	51.79 (18)	O2—Er1—Ba1^i	127.02 (18)
O6^v—Ba1—F1^vi	138.27 (18)	O2^ix—Er1—Ba1^i	76.50 (18)
O6^vi—Ba1—F1^vi	110.87 (16)	Si2—Er1—Ba1^i	119.93 (5)
O3^vii—Ba1—F1^vi	151.48 (16)	Er1^ix—Er1—Ba1^i	103.40 (6)
O5^vi—Ba1—F1^vi	63.98 (16)	Ba1^x—Er1—Ba1^i	64.46 (4)
F1^i—Ba1—Si2^v	101.86 (16)	Ba1^xi—Er1—Ba1^i	67.48 (4)
F1^ii—Ba1—Si2^v	72.17 (15)	Ba1^iii—Er1—Ba1^i	119.16 (6)
O5^iii—Ba1—Si2^v	81.21 (15)	O4—Si1—O2	114.8 (4)
O4^iv—Ba1—Si2^v	149.88 (15)	O4—Si1—O1	108.4 (4)
O6^v—Ba1—Si2^v	26.19 (13)	O2—Si1—O1	109.5 (4)
O6^vi—Ba1—Si2^v	80.96 (14)	O4—Si1—O3	109.7 (4)
O3^vii—Ba1—Si2^v	27.44 (13)	O2—Si1—O3	107.0 (4)
O5^vi—Ba1—Si2^v	115.82 (14)	O1—Si1—O3	107.2 (4)
F1^vi—Ba1—Si2^v	157.65 (11)	O6—Si2—O5	109.9 (4)
F1^i—Ba1—Si2^vi	132.96 (13)	O6—Si2—O1	110.4 (3)
F1^ii—Ba1—Si2^vi	83.53 (13)	O5—Si2—O1	111.6 (4)
O5^iii—Ba1—Si2^vi	87.93 (16)	O6—Si2—O3^iii	106.1 (4)
O4^iv—Ba1—Si2^vi	65.58 (16)	O5—Si2—O3^iii	111.5 (4)
O6^v—Ba1—Si2^vi	80.72 (15)	O1—Si2—O3^iii	107.2 (4)
O6^vi—Ba1—Si2^vi	25.80 (13)	O6—Si2—Er1	110.1 (3)
O3^vii—Ba1—Si2^vi	120.91 (14)	O5—Si2—Er1	33.3 (2)
O5^vi—Ba1—Si2^vi	26.56 (12)	O1—Si2—Er1	81.4 (2)
F1^vi—Ba1—Si2^vi	87.42 (11)	O3^iii—Si2—Er1	136.9 (3)
Si2^v—Ba1—Si2^vi	99.17 (7)	O6—Si2—Ba1^v	50.6 (2)
F1^i—Ba1—Er1^vi	104.84 (15)	O5—Si2—Ba1^v	118.8 (3)
F1^ii—Ba1—Er1^vi	110.55 (14)	O1—Si2—Ba1^v	129.5 (3)
O5^iii—Ba1—Er1^vi	86.67 (15)	O3^iii—Si2—Ba1^v	56.2 (2)
O4^iv—Ba1—Er1^vi	35.43 (14)	Er1—Si2—Ba1^v	145.70 (8)
O6^v—Ba1—Er1^vi	126.52 (14)	O6—Si2—Ba1^x	50.7 (3)
O6^vi—Ba1—Er1^vi	76.52 (14)	O5—Si2—Ba1^x	59.2 (3)
O3^vii—Ba1—Er1^vi	172.93 (13)	O1—Si2—Ba1^x	126.5 (3)
O5^vi—Ba1—Er1^vi	35.45 (13)	O3^iii—Si2—Ba1^x	125.6 (2)
F1^vi—Ba1—Er1^vi	34.40 (10)	Er1—Si2—Ba1^x	66.90 (5)
Si2^v—Ba1—Er1^vi	151.26 (5)	Ba1^v—Si2—Ba1^x	80.83 (7)
Si2^vi—Ba1—Er1^vi	54.20 (5)	Si2—O1—Si1	143.6 (4)
F1—Er1—O5	100.4 (3)	Si1—O2—Er1	126.7 (4)
F1—Er1—O6^viii	78.9 (2)	Si1—O2—Er1^ix	128.4 (4)
O5—Er1—O6^viii	80.0 (2)	Er1—O2—Er1^ix	104.4 (3)
F1—Er1—O4^i	74.7 (2)	Si2^iii—O3—Si1	135.4 (4)
O5—Er1—O4^i	84.6 (2)	Si2^iii—O3—Ba1^viii	96.4 (3)
O6^viii—Er1—O4^i	146.5 (2)	Si1—O3—Ba1^viii	128.0 (3)
F1—Er1—O2	160.4 (2)	Si1—O4—Er1^i	130.2 (4)
O5—Er1—O2	94.5 (2)	Si1—O4—Ba1^iv	125.7 (3)
O6^viii—Er1—O2	116.4 (2)	Er1^i—O4—Ba1^iv	99.3 (2)
O4^i—Er1—O2	94.4 (2)	Si2—O5—Er1	123.4 (4)
F1—Er1—O2^ix	91.5 (3)	Si2—O5—Ba1^iii	121.6 (3)
O5—Er1—O2^ix	166.0 (3)	Er1—O5—Ba1^iii	109.6 (2)
O6^viii—Er1—O2^ix	95.4 (2)	Si2—O5—Ba1^x	94.2 (3)
O4^i—Er1—O2^ix	105.6 (2)	Er1—O5—Ba1^x	91.2 (2)
O2—Er1—O2^ix	75.6 (3)	Ba1^iii—O5—Ba1^x	108.3 (2)
F1—Er1—Si2	115.72 (19)	Si2—O6—Er1^vii	127.3 (3)
O5—Er1—Si2	23.28 (17)	Si2—O6—Ba1^v	103.3 (3)
O6^viii—Er1—Si2	100.23 (18)	Er1^vii—O6—Ba1^v	108.0 (2)
O4^i—Er1—Si2	73.64 (19)	Si2—O6—Ba1^x	103.5 (3)
O2—Er1—Si2	75.24 (17)	Er1^vii—O6—Ba1^x	104.6 (2)
O2^ix—Er1—Si2	150.64 (18)	Ba1^v—O6—Ba1^x	109.4 (2)
F1—Er1—Er1^ix	127.69 (19)	Er1—F1—Ba1^i	119.3 (2)
O5—Er1—Er1^ix	131.72 (17)	Er1—F1—Ba1^xi	110.8 (2)
O6^viii—Er1—Er1^ix	109.85 (16)	Ba1^i—F1—Ba1^xi	115.9 (2)
O4^i—Er1—Er1^ix	102.66 (16)	Er1—F1—Ba1^x	86.7 (2)
O2—Er1—Er1^ix	37.90 (17)	Ba1^i—F1—Ba1^x	91.37 (18)
O2^ix—Er1—Er1^ix	37.66 (17)	Ba1^xi—F1—Ba1^x	130.0 (2)
Si2—Er1—Er1^ix	113.09 (6)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, y, z−1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z; (v) −x+2, −y+1, −z+1; (vi) x, y, z−1; (vii) x+1, y, z; (viii) x−1, y, z; (ix) −x, −y, −z+1; (x) x, y, z+1; (xi) x−1, y, z+1.

(Tm)

Crystal data

Ba2F2O12Si4Tm2	Z = 1
Mr = 954.90	F(000) = 420
Triclinic, P1	Dx = 4.932 Mg m^−3
a = 5.4609 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.1258 (5) Å	Cell parameters from 7901 reflections
c = 8.9379 (7) Å	θ = 2.5–33.2°
α = 107.809 (2)°	µ = 20.17 mm^−1
β = 101.987 (2)°	T = 300 K
γ = 92.866 (2)°	Block, green
V = 321.50 (4) Å^3	0.13 × 0.12 × 0.10 mm

Data collection

Bruker Photon 100 diffractometer	2210 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.038
φ and ω scans	θmax = 33.2°, θmin = 2.5°
Absorption correction: multi-scan SADABS, Bruker	h = −8→8
Tmin = 0.839, Tmax = 1.000	k = −7→10
8263 measured reflections	l = −13→13
2236 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	w = 1/[σ^2(Fo^2) + (0.0266P)^2 + 1.9341P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.063	(Δ/σ)max = 0.001
S = 1.14	Δρmax = 1.93 e Å^−3
2236 reflections	Δρmin = −2.82 e Å^−3
101 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.102 (2)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.75906 (4)	0.25721 (4)	0.04489 (3)	0.00685 (9)
Tm1	0.16255 (3)	0.14925 (2)	0.70100 (2)	0.00334 (8)
Si1	0.3842 (2)	0.17744 (16)	0.36902 (13)	0.00286 (19)
Si2	0.6775 (2)	0.44118 (16)	0.71041 (13)	0.00305 (19)
O1	0.6123 (6)	0.3108 (5)	0.5186 (4)	0.0081 (5)
O2	0.1671 (6)	0.0890 (5)	0.4375 (4)	0.0072 (5)
O3	0.2540 (6)	0.3258 (5)	0.2753 (4)	0.0071 (5)
O4	0.5054 (6)	0.0152 (5)	0.2486 (4)	0.0085 (6)
O5	0.4456 (6)	0.4175 (5)	0.7914 (4)	0.0087 (6)
O6	0.9295 (6)	0.3796 (5)	0.8033 (4)	0.0062 (5)
F1	0.1516 (6)	0.0981 (5)	0.9274 (4)	0.0173 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.00833 (12)	0.00515 (13)	0.00576 (13)	0.00107 (9)	0.00147 (9)	−0.00003 (9)
Tm1	0.00333 (10)	0.00337 (11)	0.00275 (11)	−0.00008 (6)	0.00119 (6)	−0.00006 (7)
Si1	0.0032 (4)	0.0026 (4)	0.0022 (4)	0.0001 (3)	0.0008 (3)	0.0000 (4)
Si2	0.0023 (4)	0.0025 (5)	0.0036 (4)	0.0000 (3)	0.0002 (3)	0.0002 (4)
O1	0.0086 (12)	0.0079 (14)	0.0048 (13)	−0.0017 (10)	−0.0001 (10)	−0.0007 (11)
O2	0.0082 (12)	0.0077 (14)	0.0055 (13)	−0.0034 (10)	0.0029 (10)	0.0018 (11)
O3	0.0103 (13)	0.0021 (12)	0.0070 (13)	−0.0020 (10)	−0.0028 (10)	0.0023 (10)
O4	0.0083 (12)	0.0087 (14)	0.0058 (13)	0.0055 (11)	0.0020 (10)	−0.0025 (11)
O5	0.0053 (12)	0.0078 (14)	0.0128 (15)	−0.0014 (10)	0.0070 (11)	0.0002 (12)
O6	0.0049 (12)	0.0059 (13)	0.0070 (13)	0.0026 (10)	−0.0001 (10)	0.0015 (10)
F1	0.0287 (16)	0.0204 (15)	0.0140 (14)	0.0163 (13)	0.0157 (12)	0.0126 (12)

Geometric parameters (Å, º)

Ba1—F1^i	2.677 (3)	Si1—O4	1.595 (3)
Ba1—F1^ii	2.726 (3)	Si1—O2	1.625 (3)
Ba1—O5^iii	2.762 (3)	Si1—O1	1.630 (3)
Ba1—O4^iv	2.787 (3)	Si1—O3	1.642 (3)
Ba1—O6^v	2.808 (3)	Si2—O6	1.608 (3)
Ba1—O6^vi	2.863 (3)	Si2—O5	1.609 (3)
Ba1—O3^vii	2.954 (3)	Si2—O1	1.633 (3)
Ba1—O5^vi	3.088 (4)	Si2—O3^iii	1.644 (3)
Ba1—F1^vi	3.293 (4)	Si2—Ba1^v	3.5410 (11)
Ba1—O4	3.307 (3)	Si2—Ba1^x	3.5716 (12)
Ba1—Si2^v	3.5410 (11)	O2—Tm1^ix	2.267 (3)
Ba1—Si2^vi	3.5717 (12)	O3—Si2^iii	1.644 (3)
Tm1—F1	2.175 (3)	O3—Ba1^viii	2.954 (3)
Tm1—O6^viii	2.219 (3)	O4—Tm1^i	2.250 (3)
Tm1—O5	2.222 (3)	O4—Ba1^iv	2.787 (3)
Tm1—O4^i	2.250 (3)	O5—Ba1^iii	2.762 (3)
Tm1—O2	2.267 (3)	O5—Ba1^x	3.088 (4)
Tm1—O2^ix	2.267 (3)	O6—Tm1^vii	2.219 (3)
Tm1—Si2	3.3840 (11)	O6—Ba1^v	2.808 (3)
Tm1—Tm1^ix	3.5895 (4)	O6—Ba1^x	2.863 (3)
Tm1—Ba1^x	3.8463 (4)	F1—Ba1^i	2.677 (3)
Tm1—Ba1^xi	4.0534 (4)	F1—Ba1^xi	2.726 (3)
Tm1—Ba1^iii	4.0950 (4)	F1—Ba1^x	3.293 (4)
Tm1—Ba1^i	4.1803 (4)
F1^i—Ba1—F1^ii	63.77 (11)	O6^viii—Tm1—Ba1^x	102.55 (8)
F1^i—Ba1—O5^iii	136.73 (9)	O5—Tm1—Ba1^x	53.38 (9)
F1^ii—Ba1—O5^iii	149.93 (10)	O4^i—Tm1—Ba1^x	45.69 (8)
F1^i—Ba1—O4^iv	75.39 (10)	O2—Tm1—Ba1^x	124.07 (8)
F1^ii—Ba1—O4^iv	80.10 (10)	O2^ix—Tm1—Ba1^x	140.79 (8)
O5^iii—Ba1—O4^iv	122.25 (9)	Si2—Tm1—Ba1^x	58.79 (2)
F1^i—Ba1—O6^v	127.78 (10)	Tm1^ix—Tm1—Ba1^x	147.464 (8)
F1^ii—Ba1—O6^v	88.69 (10)	F1—Tm1—Ba1^xi	38.87 (8)
O5^iii—Ba1—O6^v	61.43 (9)	O6^viii—Tm1—Ba1^xi	42.99 (8)
O4^iv—Ba1—O6^v	145.79 (10)	O5—Tm1—Ba1^xi	102.21 (8)
F1^i—Ba1—O6^vi	119.38 (9)	O4^i—Tm1—Ba1^xi	113.72 (8)
F1^ii—Ba1—O6^vi	59.79 (9)	O2—Tm1—Ba1^xi	148.19 (8)
O5^iii—Ba1—O6^vi	103.76 (9)	O2^ix—Tm1—Ba1^xi	82.45 (8)
O4^iv—Ba1—O6^vi	75.05 (9)	Si2—Tm1—Ba1^xi	125.41 (2)
O6^v—Ba1—O6^vi	71.40 (10)	Tm1^ix—Tm1—Ba1^xi	116.978 (9)
F1^i—Ba1—O3^vii	74.37 (10)	Ba1^x—Tm1—Ba1^xi	87.422 (9)
F1^ii—Ba1—O3^vii	62.46 (10)	F1—Tm1—Ba1^iii	86.57 (9)
O5^iii—Ba1—O3^vii	98.34 (9)	O6^viii—Tm1—Ba1^iii	40.55 (8)
O4^iv—Ba1—O3^vii	139.41 (9)	O5—Tm1—Ba1^iii	39.31 (8)
O6^v—Ba1—O3^vii	53.42 (9)	O4^i—Tm1—Ba1^iii	116.98 (8)
O6^vi—Ba1—O3^vii	97.18 (9)	O2—Tm1—Ba1^iii	112.87 (8)
F1^i—Ba1—O5^vi	137.10 (10)	O2^ix—Tm1—Ba1^iii	135.37 (8)
F1^ii—Ba1—O5^vi	107.91 (8)	Si2—Tm1—Ba1^iii	61.246 (19)
O5^iii—Ba1—O5^vi	72.27 (11)	Tm1^ix—Tm1—Ba1^iii	134.016 (8)
O4^iv—Ba1—O5^vi	61.75 (9)	Ba1^x—Tm1—Ba1^iii	73.006 (7)
O6^v—Ba1—O5^vi	92.00 (9)	Ba1^xi—Tm1—Ba1^iii	68.822 (7)
O6^vi—Ba1—O5^vi	52.79 (8)	F1—Tm1—Ba1^i	34.20 (8)
O3^vii—Ba1—O5^vi	142.36 (8)	O6^viii—Tm1—Ba1^i	110.53 (8)
F1^i—Ba1—F1^vi	89.02 (9)	O5—Tm1—Ba1^i	117.36 (9)
F1^ii—Ba1—F1^vi	130.03 (12)	O4^i—Tm1—Ba1^i	51.93 (9)
O5^iii—Ba1—F1^vi	78.06 (8)	O2—Tm1—Ba1^i	126.77 (8)
O4^iv—Ba1—F1^vi	51.71 (8)	O2^ix—Tm1—Ba1^i	76.88 (8)
O6^v—Ba1—F1^vi	137.98 (8)	Si2—Tm1—Ba1^i	119.53 (2)
O6^vi—Ba1—F1^vi	110.93 (8)	Tm1^ix—Tm1—Ba1^i	103.568 (9)
O3^vii—Ba1—F1^vi	151.76 (8)	Ba1^x—Tm1—Ba1^i	64.267 (7)
O5^vi—Ba1—F1^vi	63.73 (8)	Ba1^xi—Tm1—Ba1^i	67.705 (7)
F1^i—Ba1—O4	52.14 (8)	Ba1^iii—Tm1—Ba1^i	118.876 (9)
F1^ii—Ba1—O4	115.30 (8)	O4—Si1—O2	115.18 (18)
O5^iii—Ba1—O4	86.21 (9)	O4—Si1—O1	107.74 (17)
O4^iv—Ba1—O4	91.24 (9)	O2—Si1—O1	110.13 (17)
O6^v—Ba1—O4	122.58 (8)	O4—Si1—O3	109.15 (18)
O6^vi—Ba1—O4	165.90 (8)	O2—Si1—O3	106.83 (17)
O3^vii—Ba1—O4	91.09 (8)	O1—Si1—O3	107.59 (17)
O5^vi—Ba1—O4	123.44 (8)	O6—Si2—O5	111.12 (18)
F1^vi—Ba1—O4	60.84 (7)	O6—Si2—O1	109.87 (17)
F1^i—Ba1—Si2^v	101.63 (8)	O5—Si2—O1	111.79 (17)
F1^ii—Ba1—Si2^v	72.19 (8)	O6—Si2—O3^iii	105.78 (17)
O5^iii—Ba1—Si2^v	80.78 (7)	O5—Si2—O3^iii	110.74 (18)
O4^iv—Ba1—Si2^v	149.97 (7)	O1—Si2—O3^iii	107.31 (17)
O6^v—Ba1—Si2^v	26.23 (6)	O6—Si2—Tm1	110.66 (12)
O6^vi—Ba1—Si2^v	81.06 (6)	O5—Si2—Tm1	33.29 (12)
O3^vii—Ba1—Si2^v	27.46 (6)	O1—Si2—Tm1	81.80 (12)
O5^vi—Ba1—Si2^v	116.09 (6)	O3^iii—Si2—Tm1	136.58 (12)
F1^vi—Ba1—Si2^v	157.65 (6)	O6—Si2—Ba1^v	50.52 (12)
O4—Ba1—Si2^v	110.75 (6)	O5—Si2—Ba1^v	119.01 (13)
F1^i—Ba1—Si2^vi	132.44 (7)	O1—Si2—Ba1^v	129.19 (12)
F1^ii—Ba1—Si2^vi	83.23 (6)	O3^iii—Si2—Ba1^v	55.96 (11)
O5^iii—Ba1—Si2^vi	88.48 (7)	Tm1—Si2—Ba1^v	145.77 (4)
O4^iv—Ba1—Si2^vi	65.48 (7)	O6—Si2—Ba1^x	51.51 (12)
O6^v—Ba1—Si2^vi	81.23 (7)	O5—Si2—Ba1^x	59.63 (13)
O6^vi—Ba1—Si2^vi	26.08 (6)	O1—Si2—Ba1^x	127.19 (13)
O3^vii—Ba1—Si2^vi	120.76 (6)	O3^iii—Si2—Ba1^x	124.80 (12)
O5^vi—Ba1—Si2^vi	26.72 (6)	Tm1—Si2—Ba1^x	67.08 (2)
F1^vi—Ba1—Si2^vi	87.33 (5)	Ba1^v—Si2—Ba1^x	80.70 (2)
O4—Ba1—Si2^vi	148.14 (6)	Si1—O1—Si2	142.9 (2)
Si2^v—Ba1—Si2^vi	99.30 (2)	Si1—O2—Tm1	126.33 (17)
F1—Tm1—O6^viii	78.75 (11)	Si1—O2—Tm1^ix	128.48 (17)
F1—Tm1—O5	100.16 (13)	Tm1—O2—Tm1^ix	104.70 (12)
O6^viii—Tm1—O5	79.67 (12)	Si1—O3—Si2^iii	134.4 (2)
F1—Tm1—O4^i	74.85 (12)	Si1—O3—Ba1^viii	128.55 (16)
O6^viii—Tm1—O4^i	146.58 (11)	Si2^iii—O3—Ba1^viii	96.58 (13)
O5—Tm1—O4^i	85.16 (12)	Si1—O4—Tm1^i	130.52 (18)
F1—Tm1—O2	160.52 (12)	Si1—O4—Ba1^iv	125.22 (16)
O6^viii—Tm1—O2	116.50 (12)	Tm1^i—O4—Ba1^iv	99.02 (11)
O5—Tm1—O2	94.78 (11)	Si1—O4—Ba1	105.27 (16)
O4^i—Tm1—O2	94.18 (12)	Tm1^i—O4—Ba1	95.69 (10)
F1—Tm1—O2^ix	91.90 (13)	Ba1^iv—O4—Ba1	88.76 (9)
O6^viii—Tm1—O2^ix	95.45 (12)	Si2—O5—Tm1	123.28 (18)
O5—Tm1—O2^ix	165.76 (13)	Si2—O5—Ba1^iii	121.71 (17)
O4^i—Tm1—O2^ix	105.46 (12)	Tm1—O5—Ba1^iii	110.04 (11)
O2—Tm1—O2^ix	75.30 (12)	Si2—O5—Ba1^x	93.65 (14)
F1—Tm1—Si2	115.40 (10)	Tm1—O5—Ba1^x	91.35 (11)
O6^viii—Tm1—Si2	100.13 (8)	Ba1^iii—O5—Ba1^x	107.73 (11)
O5—Tm1—Si2	23.43 (8)	Si2—O6—Tm1^vii	127.85 (18)
O4^i—Tm1—Si2	73.79 (9)	Si2—O6—Ba1^v	103.26 (15)
O2—Tm1—Si2	75.50 (8)	Tm1^vii—O6—Ba1^v	108.53 (11)
O2^ix—Tm1—Si2	150.64 (8)	Si2—O6—Ba1^x	102.41 (14)
F1—Tm1—Tm1^ix	128.04 (10)	Tm1^vii—O6—Ba1^x	105.10 (12)
O6^viii—Tm1—Tm1^ix	109.98 (8)	Ba1^v—O6—Ba1^x	108.60 (10)
O5—Tm1—Tm1^ix	131.66 (9)	Tm1—F1—Ba1^i	118.61 (12)
O4^i—Tm1—Tm1^ix	102.38 (8)	Tm1—F1—Ba1^xi	111.07 (12)
O2—Tm1—Tm1^ix	37.65 (8)	Ba1^i—F1—Ba1^xi	116.23 (11)
O2^ix—Tm1—Tm1^ix	37.65 (8)	Tm1—F1—Ba1^x	86.88 (10)
Si2—Tm1—Tm1^ix	113.10 (2)	Ba1^i—F1—Ba1^x	90.98 (9)
F1—Tm1—Ba1^x	58.73 (10)	Ba1^xi—F1—Ba1^x	130.03 (12)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, y, z−1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z; (v) −x+2, −y+1, −z+1; (vi) x, y, z−1; (vii) x+1, y, z; (viii) x−1, y, z; (ix) −x, −y, −z+1; (x) x, y, z+1; (xi) x−1, y, z+1.

(Yb)

Crystal data

Ba2F2O12Si4Yb2	Z = 1
Mr = 963.12	F(000) = 422
Triclinic, P1	Dx = 5.003 Mg m^−3
a = 5.4461 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.1212 (3) Å	Cell parameters from 9791 reflections
c = 8.9128 (4) Å	θ = 2.5–26.5°
α = 107.7984 (14)°	µ = 21.03 mm^−1
β = 101.8656 (14)°	T = 300 K
γ = 92.9455 (14)°	Block, colourless
V = 319.66 (3) Å^3	0.11 × 0.06 × 0.06 mm

Data collection

Bruker Photon 100 diffractometer	1308 reflections with I > 2σ(I)
Radiation source: Ius	Rint = 0.023
φ and ω scans	θmax = 26.5°, θmin = 2.5°
Absorption correction: multi-scan SADABS, Bruker	h = −6→6
Tmin = 0.839, Tmax = 1.000	k = −8→8
8268 measured reflections	l = −11→11
1316 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.014	w = 1/[σ^2(Fo^2) + (0.0427P)^2 + 0.3644P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.058	(Δ/σ)max = 0.002
S = 1.14	Δρmax = 1.36 e Å^−3
1316 reflections	Δρmin = −0.91 e Å^−3
101 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0157 (8)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.75833 (5)	0.25733 (4)	0.04525 (3)	0.00949 (13)
Yb1	0.16280 (3)	0.14859 (3)	0.70082 (2)	0.00604 (12)
Si1	0.3840 (2)	0.17724 (18)	0.36874 (14)	0.0055 (2)
Si2	0.6777 (2)	0.44045 (18)	0.70994 (14)	0.0059 (3)
O1	0.6134 (6)	0.3116 (5)	0.5185 (4)	0.0107 (7)
O2	0.1666 (6)	0.0892 (5)	0.4379 (4)	0.0098 (7)
O3	0.2543 (6)	0.3256 (5)	0.2741 (4)	0.0103 (7)
O4	0.5059 (6)	0.0142 (5)	0.2486 (4)	0.0116 (7)
O5	0.4457 (6)	0.4165 (5)	0.7918 (4)	0.0108 (7)
O6	0.9300 (6)	0.3783 (5)	0.8018 (4)	0.0091 (7)
F1	0.1513 (6)	0.0991 (5)	0.9267 (4)	0.0186 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.01117 (19)	0.00726 (18)	0.00835 (19)	0.00124 (12)	0.00118 (13)	0.00080 (13)
Yb1	0.00635 (16)	0.00565 (16)	0.00522 (16)	0.00008 (9)	0.00086 (9)	0.00090 (10)
Si1	0.0059 (6)	0.0050 (6)	0.0047 (6)	0.0002 (4)	0.0005 (4)	0.0007 (5)
Si2	0.0043 (6)	0.0058 (6)	0.0067 (6)	0.0001 (4)	0.0004 (5)	0.0015 (5)
O1	0.0076 (15)	0.0111 (17)	0.0089 (16)	−0.0015 (12)	−0.0022 (13)	0.0000 (13)
O2	0.0118 (16)	0.0098 (16)	0.0086 (16)	−0.0009 (12)	0.0040 (13)	0.0035 (13)
O3	0.0119 (16)	0.0055 (15)	0.0104 (16)	−0.0015 (12)	−0.0031 (13)	0.0023 (12)
O4	0.0120 (16)	0.0106 (16)	0.0096 (16)	0.0035 (13)	0.0015 (13)	−0.0003 (13)
O5	0.0073 (16)	0.0105 (17)	0.0127 (17)	−0.0031 (12)	0.0045 (13)	0.0002 (14)
O6	0.0077 (16)	0.0080 (16)	0.0109 (16)	0.0034 (12)	0.0014 (13)	0.0023 (13)
F1	0.0282 (17)	0.0210 (15)	0.0161 (15)	0.0141 (13)	0.0131 (13)	0.0124 (12)

Geometric parameters (Å, º)

Ba1—F1^i	2.686 (3)	Si1—O2	1.623 (3)
Ba1—F1^ii	2.723 (3)	Si1—O1	1.633 (3)
Ba1—O5^iii	2.758 (3)	Si1—O3	1.644 (3)
Ba1—O4^iv	2.782 (3)	Si1—Yb1^i	3.4926 (12)
Ba1—O6^v	2.811 (3)	Si1—Yb1^ix	3.5053 (13)
Ba1—O6^vi	2.867 (3)	Si2—O6	1.605 (3)
Ba1—O3^vii	2.948 (3)	Si2—O5	1.610 (3)
Ba1—O5^vi	3.077 (3)	Si2—O1	1.625 (3)
Ba1—F1^vi	3.281 (3)	Si2—O3^iii	1.644 (3)
Ba1—O4	3.297 (4)	Si2—Yb1^vii	3.4430 (12)
Ba1—Si2^v	3.5383 (12)	Si2—Ba1^v	3.5383 (12)
Ba1—Si2^vi	3.5674 (12)	Si2—Ba1^x	3.5674 (12)
Yb1—F1	2.160 (3)	O2—Yb1^ix	2.260 (3)
Yb1—O6^viii	2.208 (3)	O3—Si2^iii	1.644 (3)
Yb1—O5	2.216 (3)	O3—Ba1^viii	2.948 (3)
Yb1—O4^i	2.236 (3)	O4—Yb1^i	2.236 (3)
Yb1—O2	2.255 (3)	O4—Ba1^iv	2.782 (3)
Yb1—O2^ix	2.260 (3)	O5—Ba1^iii	2.758 (3)
Yb1—Si2	3.3756 (12)	O5—Ba1^x	3.077 (3)
Yb1—Si2^viii	3.4430 (12)	O6—Yb1^vii	2.208 (3)
Yb1—Si1	3.4733 (12)	O6—Ba1^v	2.811 (3)
Yb1—Si1^i	3.4927 (12)	O6—Ba1^x	2.867 (3)
Yb1—Si1^ix	3.5053 (13)	F1—Ba1^i	2.686 (3)
Yb1—Yb1^ix	3.5791 (4)	F1—Ba1^xi	2.723 (3)
Si1—O4	1.596 (3)	F1—Ba1^x	3.281 (3)
F1^i—Ba1—F1^ii	63.88 (11)	O2—Yb1—Si1^i	75.35 (9)
F1^i—Ba1—O5^iii	137.07 (9)	O2^ix—Yb1—Si1^i	93.86 (9)
F1^ii—Ba1—O5^iii	149.63 (10)	Si2—Yb1—Si1^i	75.82 (3)
F1^i—Ba1—O4^iv	75.58 (10)	Si2^viii—Yb1—Si1^i	171.67 (3)
F1^ii—Ba1—O4^iv	80.06 (10)	Si1—Yb1—Si1^i	70.51 (3)
O5^iii—Ba1—O4^iv	122.17 (10)	F1—Yb1—Si1^ix	72.47 (9)
F1^i—Ba1—O6^v	127.73 (9)	O6^viii—Yb1—Si1^ix	83.63 (9)
F1^ii—Ba1—O6^v	88.82 (9)	O5—Yb1—Si1^ix	162.62 (9)
O5^iii—Ba1—O6^v	61.07 (10)	O4^i—Yb1—Si1^ix	107.21 (9)
O4^iv—Ba1—O6^v	145.80 (10)	O2—Yb1—Si1^ix	96.27 (9)
F1^i—Ba1—O6^vi	119.12 (9)	O2^ix—Yb1—Si1^ix	21.33 (8)
F1^ii—Ba1—O6^vi	59.43 (9)	Si2—Yb1—Si1^ix	171.84 (3)
O5^iii—Ba1—O6^vi	103.68 (9)	Si2^viii—Yb1—Si1^ix	74.81 (3)
O4^iv—Ba1—O6^vi	74.76 (10)	Si1—Yb1—Si1^ix	118.29 (2)
O6^v—Ba1—O6^vi	71.76 (11)	Si1^i—Yb1—Si1^ix	102.20 (3)
F1^i—Ba1—O3^vii	74.27 (10)	F1—Yb1—Yb1^ix	128.24 (9)
F1^ii—Ba1—O3^vii	62.31 (10)	O6^viii—Yb1—Yb1^ix	109.65 (9)
O5^iii—Ba1—O3^vii	98.56 (9)	O5—Yb1—Yb1^ix	131.83 (9)
O4^iv—Ba1—O3^vii	139.27 (9)	O4^i—Yb1—Yb1^ix	102.66 (9)
O6^v—Ba1—O3^vii	53.46 (9)	O2—Yb1—Yb1^ix	37.62 (8)
O6^vi—Ba1—O3^vii	96.98 (10)	O2^ix—Yb1—Yb1^ix	37.52 (8)
F1^i—Ba1—O5^vi	137.10 (9)	Si2—Yb1—Yb1^ix	113.14 (2)
F1^ii—Ba1—O5^vi	107.68 (9)	Si2^viii—Yb1—Yb1^ix	88.56 (2)
O5^iii—Ba1—O5^vi	72.12 (10)	Si1—Yb1—Yb1^ix	59.59 (2)
O4^iv—Ba1—O5^vi	61.56 (9)	Si1^i—Yb1—Yb1^ix	83.29 (2)
O6^v—Ba1—O5^vi	92.08 (9)	Si1^ix—Yb1—Yb1^ix	58.71 (2)
O6^vi—Ba1—O5^vi	52.84 (9)	O4—Si1—O2	115.08 (19)
O3^vii—Ba1—O5^vi	142.27 (9)	O4—Si1—O1	107.61 (18)
F1^i—Ba1—F1^vi	89.28 (8)	O2—Si1—O1	110.22 (18)
F1^ii—Ba1—F1^vi	129.95 (11)	O4—Si1—O3	109.25 (19)
O5^iii—Ba1—F1^vi	78.21 (8)	O2—Si1—O3	107.02 (19)
O4^iv—Ba1—F1^vi	51.58 (9)	O1—Si1—O3	107.41 (18)
O6^v—Ba1—F1^vi	137.78 (9)	O4—Si1—Yb1	128.92 (14)
O6^vi—Ba1—F1^vi	110.60 (8)	O2—Si1—Yb1	31.52 (12)
O3^vii—Ba1—F1^vi	152.27 (8)	O1—Si1—Yb1	78.72 (12)
O5^vi—Ba1—F1^vi	63.45 (8)	O3—Si1—Yb1	116.97 (14)
F1^i—Ba1—O4	51.91 (9)	O4—Si1—Yb1^i	29.07 (12)
F1^ii—Ba1—O4	115.22 (8)	O2—Si1—Yb1^i	111.26 (13)
O5^iii—Ba1—O4	86.79 (9)	O1—Si1—Yb1^i	83.22 (12)
O4^iv—Ba1—O4	91.28 (9)	O3—Si1—Yb1^i	133.47 (14)
O6^v—Ba1—O4	122.53 (9)	Yb1—Si1—Yb1^i	109.49 (3)
O6^vi—Ba1—O4	165.54 (9)	O4—Si1—Yb1^ix	92.75 (13)
O3^vii—Ba1—O4	91.19 (9)	O2—Si1—Yb1^ix	30.42 (12)
O5^vi—Ba1—O4	123.61 (8)	O1—Si1—Yb1^ix	139.72 (13)
F1^vi—Ba1—O4	61.24 (8)	O3—Si1—Yb1^ix	97.50 (13)
F1^i—Ba1—Si2^v	101.60 (7)	Yb1—Si1—Yb1^ix	61.71 (2)
F1^ii—Ba1—Si2^v	72.25 (7)	Yb1^i—Si1—Yb1^ix	102.20 (3)
O5^iii—Ba1—Si2^v	80.64 (7)	O6—Si2—O5	111.15 (18)
O4^iv—Ba1—Si2^v	149.95 (7)	O6—Si2—O1	109.63 (18)
O6^v—Ba1—Si2^v	26.22 (7)	O5—Si2—O1	112.10 (18)
O6^vi—Ba1—Si2^v	81.17 (7)	O6—Si2—O3^iii	105.88 (18)
O3^vii—Ba1—Si2^v	27.49 (7)	O5—Si2—O3^iii	110.32 (19)
O5^vi—Ba1—Si2^v	116.09 (6)	O1—Si2—O3^iii	107.51 (18)
F1^vi—Ba1—Si2^v	157.71 (6)	O6—Si2—Yb1	110.68 (13)
O4—Ba1—Si2^v	110.75 (6)	O5—Si2—Yb1	33.38 (12)
F1^i—Ba1—Si2^vi	132.36 (7)	O1—Si2—Yb1	82.02 (12)
F1^ii—Ba1—Si2^vi	82.96 (6)	O3^iii—Si2—Yb1	136.30 (13)
O5^iii—Ba1—Si2^vi	88.29 (7)	O6—Si2—Yb1^vii	30.17 (12)
O4^iv—Ba1—Si2^vi	65.29 (7)	O5—Si2—Yb1^vii	124.18 (14)
O6^v—Ba1—Si2^vi	81.38 (7)	O1—Si2—Yb1^vii	79.48 (12)
O6^vi—Ba1—Si2^vi	26.10 (7)	O3^iii—Si2—Yb1^vii	117.60 (13)
O3^vii—Ba1—Si2^vi	120.55 (7)	Yb1—Si2—Yb1^vii	106.01 (3)
O5^vi—Ba1—Si2^vi	26.75 (6)	O6—Si2—Ba1^v	50.72 (12)
F1^vi—Ba1—Si2^vi	87.06 (5)	O5—Si2—Ba1^v	118.86 (13)
O4—Ba1—Si2^vi	148.26 (6)	O1—Si2—Ba1^v	129.03 (13)
Si2^v—Ba1—Si2^vi	99.30 (3)	O3^iii—Si2—Ba1^v	55.83 (12)
F1—Yb1—O6^viii	78.83 (12)	Yb1—Si2—Ba1^v	145.78 (4)
F1—Yb1—O5	99.82 (13)	Yb1^vii—Si2—Ba1^v	71.80 (2)
O6^viii—Yb1—O5	79.54 (13)	O6—Si2—Ba1^x	51.78 (12)
F1—Yb1—O4^i	74.96 (12)	O5—Si2—Ba1^x	59.39 (13)
O6^viii—Yb1—O4^i	146.70 (12)	O1—Si2—Ba1^x	127.55 (13)
O5—Yb1—O4^i	85.03 (12)	O3^iii—Si2—Ba1^x	124.29 (13)
F1—Yb1—O2	160.87 (12)	Yb1—Si2—Ba1^x	67.07 (2)
O6^viii—Yb1—O2	116.01 (12)	Yb1^vii—Si2—Ba1^x	70.50 (2)
O5—Yb1—O2	94.98 (12)	Ba1^v—Si2—Ba1^x	80.70 (3)
O4^i—Yb1—O2	94.47 (12)	Si2—O1—Si1	142.6 (2)
F1—Yb1—O2^ix	92.15 (12)	Si1—O2—Yb1	126.37 (18)
O6^viii—Yb1—O2^ix	95.45 (13)	Si1—O2—Yb1^ix	128.25 (18)
O5—Yb1—O2^ix	165.79 (12)	Yb1—O2—Yb1^ix	104.86 (13)
O4^i—Yb1—O2^ix	105.62 (12)	Si1—O3—Si2^iii	134.3 (2)
O2—Yb1—O2^ix	75.14 (13)	Si1—O3—Ba1^viii	128.44 (17)
F1—Yb1—Si2	115.31 (9)	Si2^iii—O3—Ba1^viii	96.68 (14)
O6^viii—Yb1—Si2	99.99 (9)	Si1—O4—Yb1^i	130.64 (19)
O5—Yb1—Si2	23.55 (9)	Si1—O4—Ba1^iv	125.09 (17)
O4^i—Yb1—Si2	73.74 (9)	Yb1^i—O4—Ba1^iv	99.25 (11)
O2—Yb1—Si2	75.57 (9)	Si1—O4—Ba1	104.74 (15)
O2^ix—Yb1—Si2	150.55 (8)	Yb1^i—O4—Ba1	95.91 (11)
F1—Yb1—Si2^viii	94.79 (8)	Ba1^iv—O4—Ba1	88.72 (9)
O6^viii—Yb1—Si2^viii	21.43 (9)	Si2—O5—Yb1	123.07 (18)
O5—Yb1—Si2^viii	90.69 (9)	Si2—O5—Ba1^iii	121.38 (17)
O4^i—Yb1—Si2^viii	167.99 (9)	Yb1—O5—Ba1^iii	110.34 (12)
O2—Yb1—Si2^viii	97.09 (9)	Si2—O5—Ba1^x	93.86 (15)
O2^ix—Yb1—Si2^viii	80.63 (9)	Yb1—O5—Ba1^x	91.50 (11)
Si2—Yb1—Si2^viii	106.01 (3)	Ba1^iii—O5—Ba1^x	107.88 (10)
F1—Yb1—Si1	160.35 (8)	Si2—O6—Yb1^vii	128.40 (19)
O6^viii—Yb1—Si1	117.29 (9)	Si2—O6—Ba1^v	103.06 (15)
O5—Yb1—Si1	73.98 (9)	Yb1^vii—O6—Ba1^v	108.72 (12)
O4^i—Yb1—Si1	85.83 (9)	Si2—O6—Ba1^x	102.12 (15)
O2—Yb1—Si1	22.11 (9)	Yb1^vii—O6—Ba1^x	105.04 (12)
O2^ix—Yb1—Si1	97.05 (8)	Ba1^v—O6—Ba1^x	108.24 (11)
Si2—Yb1—Si1	53.55 (3)	Yb1—F1—Ba1^i	118.37 (12)
Si2^viii—Yb1—Si1	103.80 (3)	Yb1—F1—Ba1^xi	111.42 (12)
F1—Yb1—Si1^i	91.64 (8)	Ba1^i—F1—Ba1^xi	116.12 (11)
O6^viii—Yb1—Si1^i	166.90 (9)	Yb1—F1—Ba1^x	87.19 (10)
O5—Yb1—Si1^i	93.43 (9)	Ba1^i—F1—Ba1^x	90.72 (8)
O4^i—Yb1—Si1^i	20.29 (9)	Ba1^xi—F1—Ba1^x	129.95 (11)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, y, z−1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z; (v) −x+2, −y+1, −z+1; (vi) x, y, z−1; (vii) x+1, y, z; (viii) x−1, y, z; (ix) −x, −y, −z+1; (x) x, y, z+1; (xi) x−1, y, z+1.

(Lu)

Crystal data

Ba2F2Lu2O12Si4	Z = 1
Mr = 966.98	F(000) = 424
Triclinic, P1	Dx = 5.026 Mg m^−3
a = 5.451 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 7.1227 (18) Å	Cell parameters from 1958 reflections
c = 8.8937 (18) Å	θ = 2.5–26.0°
α = 107.73 (3)°	µ = 21.86 mm^−1
β = 101.81 (4)°	T = 298 K
γ = 93.01 (4)°	Block, colourless
V = 319.5 (2) Å^3	0.15 × 0.14 × 0.13 mm

Data collection

Rigaku AFC8S diffractometer	1148 independent reflections
Radiation source: fine-focus sealed tube	1116 reflections with I > 2σ(I)
Detector resolution: 14.6199 pixels mm^-1	Rint = 0.040
ω scans	θmax = 25.2°, θmin = 3.0°
Absorption correction: multi-scan REQAB, CrystalClear	h = −6→5
Tmin = 0.273, Tmax = 1.000	k = −8→8
2710 measured reflections	l = −10→10

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.036	w = 1/[σ^2(Fo^2) + (0.079P)^2 + 31.2028P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.099	(Δ/σ)max < 0.001
S = 1.07	Δρmax = 2.60 e Å^−3
1148 reflections	Δρmin = −3.57 e Å^−3
101 parameters	Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0255 (18)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ba1	0.75782 (9)	0.25769 (7)	0.04574 (6)	0.0126 (3)
Lu1	0.16320 (6)	0.14784 (5)	0.70058 (4)	0.0093 (3)
Si1	0.3845 (4)	0.1775 (3)	0.3683 (3)	0.0095 (5)
Si2	0.6784 (4)	0.4400 (3)	0.7097 (3)	0.0083 (5)
O1	0.6132 (11)	0.3133 (9)	0.5173 (7)	0.0130 (13)
O2	0.1667 (11)	0.0888 (9)	0.4377 (7)	0.0136 (13)
O3	0.2516 (11)	0.3256 (9)	0.2738 (8)	0.0128 (12)
O4	0.5075 (11)	0.0155 (9)	0.2497 (8)	0.0139 (13)
O5	0.4478 (11)	0.4140 (9)	0.7927 (7)	0.0116 (13)
O6	0.9312 (11)	0.3772 (10)	0.8017 (8)	0.0129 (13)
F1	0.1464 (11)	0.0975 (9)	0.9233 (7)	0.0215 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0133 (4)	0.0126 (4)	0.0121 (4)	0.0024 (2)	0.0027 (2)	0.0044 (3)
Lu1	0.0087 (3)	0.0109 (3)	0.0091 (3)	0.00125 (18)	0.00240 (19)	0.0044 (2)
Si1	0.0109 (11)	0.0112 (11)	0.0068 (11)	0.0010 (8)	0.0021 (9)	0.0032 (9)
Si2	0.0051 (10)	0.0137 (12)	0.0086 (11)	0.0023 (8)	0.0030 (9)	0.0061 (9)
O1	0.009 (3)	0.017 (3)	0.009 (3)	−0.002 (2)	−0.003 (2)	0.003 (3)
O2	0.016 (3)	0.014 (3)	0.011 (3)	−0.002 (2)	0.007 (2)	0.002 (3)
O3	0.012 (3)	0.012 (3)	0.014 (3)	0.001 (2)	−0.005 (2)	0.009 (2)
O4	0.014 (3)	0.014 (3)	0.011 (3)	0.000 (2)	0.000 (2)	0.003 (2)
O5	0.010 (3)	0.012 (3)	0.013 (3)	−0.001 (2)	0.005 (2)	0.004 (3)
O6	0.011 (3)	0.016 (3)	0.013 (3)	0.004 (2)	0.001 (2)	0.008 (3)
F1	0.032 (3)	0.024 (3)	0.022 (3)	0.018 (2)	0.017 (2)	0.017 (2)

Geometric parameters (Å, º)

Ba1—F1^i	2.693 (6)	Si1—O4	1.588 (6)
Ba1—F1^ii	2.723 (6)	Si1—O2	1.627 (6)
Ba1—O5^iii	2.771 (6)	Si1—O1	1.631 (6)
Ba1—O4^iv	2.796 (6)	Si1—O3	1.648 (7)
Ba1—O6^v	2.815 (6)	Si2—O6	1.611 (7)
Ba1—O6^vi	2.865 (6)	Si2—O5	1.612 (6)
Ba1—O3^vii	2.936 (6)	Si2—O1	1.626 (6)
Ba1—O5^vi	3.054 (7)	Si2—O3^iii	1.648 (7)
Ba1—O4	3.286 (6)	Si2—Ba1^v	3.539 (3)
Ba1—F1^vi	3.309 (6)	Si2—Ba1^x	3.564 (3)
Ba1—Si2^v	3.539 (3)	O2—Lu1^ix	2.258 (6)
Ba1—Si2^vi	3.564 (3)	O3—Si2^iii	1.648 (7)
Lu1—F1	2.137 (6)	O3—Ba1^viii	2.936 (6)
Lu1—O6^viii	2.206 (6)	O4—Lu1^i	2.232 (7)
Lu1—O5	2.213 (6)	O4—Ba1^iv	2.796 (6)
Lu1—O4^i	2.232 (7)	O5—Ba1^iii	2.771 (6)
Lu1—O2	2.250 (6)	O5—Ba1^x	3.054 (7)
Lu1—O2^ix	2.258 (6)	O6—Lu1^vii	2.206 (6)
Lu1—Si2	3.378 (3)	O6—Ba1^v	2.815 (6)
Lu1—Lu1^ix	3.572 (2)	O6—Ba1^x	2.865 (6)
Lu1—Ba1^x	3.839 (2)	F1—Ba1^i	2.693 (6)
Lu1—Ba1^xi	4.0512 (17)	F1—Ba1^xi	2.723 (6)
Lu1—Ba1^iii	4.0983 (17)	F1—Ba1^x	3.309 (6)
Lu1—Ba1^i	4.1620 (13)
F1^i—Ba1—F1^ii	63.6 (2)	O6^viii—Lu1—Ba1^x	102.48 (16)
F1^i—Ba1—O5^iii	137.47 (18)	O5—Lu1—Ba1^x	52.65 (17)
F1^ii—Ba1—O5^iii	149.96 (17)	O4^i—Lu1—Ba1^x	46.00 (15)
F1^i—Ba1—O4^iv	76.10 (18)	O2—Lu1—Ba1^x	124.43 (16)
F1^ii—Ba1—O4^iv	79.36 (18)	O2^ix—Lu1—Ba1^x	141.08 (18)
O5^iii—Ba1—O4^iv	121.93 (18)	Si2—Lu1—Ba1^x	58.76 (5)
F1^i—Ba1—O6^v	127.17 (18)	Lu1^ix—Lu1—Ba1^x	148.00 (3)
F1^ii—Ba1—O6^v	89.38 (18)	F1—Lu1—Ba1^xi	38.41 (15)
O5^iii—Ba1—O6^v	60.97 (18)	O6^viii—Lu1—Ba1^xi	43.01 (17)
O4^iv—Ba1—O6^v	145.79 (19)	O5—Lu1—Ba1^xi	101.88 (16)
F1^i—Ba1—O6^vi	118.82 (18)	O4^i—Lu1—Ba1^xi	113.97 (17)
F1^ii—Ba1—O6^vi	58.86 (18)	O2—Lu1—Ba1^xi	147.83 (16)
O5^iii—Ba1—O6^vi	103.52 (18)	O2^ix—Lu1—Ba1^xi	82.46 (16)
O4^iv—Ba1—O6^vi	74.79 (18)	Si2—Lu1—Ba1^xi	125.23 (5)
O6^v—Ba1—O6^vi	71.8 (2)	Lu1^ix—Lu1—Ba1^xi	116.76 (4)
F1^i—Ba1—O3^vii	73.56 (19)	Ba1^x—Lu1—Ba1^xi	87.34 (3)
F1^ii—Ba1—O3^vii	62.97 (18)	F1—Lu1—Ba1^iii	86.72 (16)
O5^iii—Ba1—O3^vii	98.88 (18)	O6^viii—Lu1—Ba1^iii	40.55 (16)
O4^iv—Ba1—O3^vii	139.19 (18)	O5—Lu1—Ba1^iii	39.40 (16)
O6^v—Ba1—O3^vii	53.61 (18)	O4^i—Lu1—Ba1^iii	117.11 (15)
O6^vi—Ba1—O3^vii	96.80 (18)	O2—Lu1—Ba1^iii	112.57 (17)
F1^i—Ba1—O5^vi	137.50 (17)	O2^ix—Lu1—Ba1^iii	135.18 (17)
F1^ii—Ba1—O5^vi	107.05 (17)	Si2—Lu1—Ba1^iii	61.10 (6)
O5^iii—Ba1—O5^vi	71.87 (19)	Lu1^ix—Lu1—Ba1^iii	133.65 (3)
O4^iv—Ba1—O5^vi	61.42 (18)	Ba1^x—Lu1—Ba1^iii	72.88 (5)
O6^v—Ba1—O5^vi	92.13 (18)	Ba1^xi—Lu1—Ba1^iii	68.76 (4)
O6^vi—Ba1—O5^vi	53.05 (16)	F1—Lu1—Ba1^i	34.64 (15)
O3^vii—Ba1—O5^vi	142.40 (17)	O6^viii—Lu1—Ba1^i	111.00 (17)
F1^i—Ba1—O4	52.06 (16)	O5—Lu1—Ba1^i	116.70 (17)
F1^ii—Ba1—O4	115.27 (17)	O4^i—Lu1—Ba1^i	51.74 (16)
O5^iii—Ba1—O4	87.18 (17)	O2—Lu1—Ba1^i	126.81 (17)
O4^iv—Ba1—O4	91.30 (17)	O2^ix—Lu1—Ba1^i	77.08 (18)
O6^v—Ba1—O4	122.52 (16)	Si2—Lu1—Ba1^i	119.40 (5)
O6^vi—Ba1—O4	165.50 (16)	Lu1^ix—Lu1—Ba1^i	103.66 (3)
O3^vii—Ba1—O4	91.08 (17)	Ba1^x—Lu1—Ba1^i	64.29 (4)
O5^vi—Ba1—O4	123.70 (15)	Ba1^xi—Lu1—Ba1^i	68.15 (3)
F1^i—Ba1—F1^vi	90.02 (16)	Ba1^iii—Lu1—Ba1^i	119.15 (2)
F1^ii—Ba1—F1^vi	129.0 (2)	O4—Si1—O2	115.1 (3)
O5^iii—Ba1—F1^vi	78.36 (16)	O4—Si1—O1	107.4 (3)
O4^iv—Ba1—F1^vi	51.18 (16)	O2—Si1—O1	110.6 (3)
O6^v—Ba1—F1^vi	137.78 (17)	O4—Si1—O3	110.0 (4)
O6^vi—Ba1—F1^vi	110.33 (16)	O2—Si1—O3	106.4 (4)
O3^vii—Ba1—F1^vi	152.69 (16)	O1—Si1—O3	107.2 (3)
O5^vi—Ba1—F1^vi	63.05 (14)	O6—Si2—O5	110.6 (3)
O4—Ba1—F1^vi	61.74 (14)	O6—Si2—O1	110.0 (3)
F1^i—Ba1—Si2^v	100.92 (14)	O5—Si2—O1	112.2 (3)
F1^ii—Ba1—Si2^v	72.86 (14)	O6—Si2—O3^iii	105.6 (3)
O5^iii—Ba1—Si2^v	80.78 (13)	O5—Si2—O3^iii	111.0 (3)
O4^iv—Ba1—Si2^v	149.93 (13)	O1—Si2—O3^iii	107.1 (3)
O6^v—Ba1—Si2^v	26.34 (14)	O6—Si2—Lu1	110.7 (2)
O6^vi—Ba1—Si2^v	81.06 (13)	O5—Si2—Lu1	33.2 (2)
O3^vii—Ba1—Si2^v	27.53 (13)	O1—Si2—Lu1	82.2 (2)
O5^vi—Ba1—Si2^v	116.21 (12)	O3^iii—Si2—Lu1	136.6 (2)
O4—Ba1—Si2^v	110.69 (11)	O6—Si2—Ba1^v	50.9 (2)
F1^vi—Ba1—Si2^v	158.08 (10)	O5—Si2—Ba1^v	118.8 (2)
F1^i—Ba1—Si2^vi	132.58 (12)	O1—Si2—Ba1^v	128.9 (2)
F1^ii—Ba1—Si2^vi	82.44 (13)	O3^iii—Si2—Ba1^v	55.4 (2)
O5^iii—Ba1—Si2^vi	87.92 (14)	Lu1—Si2—Ba1^v	145.89 (8)
O4^iv—Ba1—Si2^vi	65.35 (14)	O6—Si2—Ba1^x	51.9 (2)
O6^v—Ba1—Si2^vi	81.29 (14)	O5—Si2—Ba1^x	58.7 (2)
O6^vi—Ba1—Si2^vi	26.25 (12)	O1—Si2—Ba1^x	128.2 (3)
O3^vii—Ba1—Si2^vi	120.48 (13)	O3^iii—Si2—Ba1^x	124.0 (2)
O5^vi—Ba1—Si2^vi	26.80 (11)	Lu1—Si2—Ba1^x	67.09 (6)
O4—Ba1—Si2^vi	148.43 (11)	Ba1^v—Si2—Ba1^x	80.77 (6)
F1^vi—Ba1—Si2^vi	86.73 (11)	Si2—O1—Si1	142.5 (4)
Si2^v—Ba1—Si2^vi	99.23 (6)	Si1—O2—Lu1	126.3 (3)
F1—Lu1—O6^viii	78.5 (2)	Si1—O2—Lu1^ix	128.4 (3)
F1—Lu1—O5	100.1 (2)	Lu1—O2—Lu1^ix	104.8 (2)
O6^viii—Lu1—O5	79.8 (2)	Si1—O3—Si2^iii	133.6 (4)
F1—Lu1—O4^i	75.6 (2)	Si1—O3—Ba1^viii	128.9 (3)
O6^viii—Lu1—O4^i	146.9 (2)	Si2^iii—O3—Ba1^viii	97.0 (3)
O5—Lu1—O4^i	84.8 (2)	Si1—O4—Lu1^i	131.2 (4)
F1—Lu1—O2	160.7 (2)	Si1—O4—Ba1^iv	124.7 (3)
O6^viii—Lu1—O2	116.0 (2)	Lu1^i—O4—Ba1^iv	99.0 (2)
O5—Lu1—O2	95.3 (2)	Si1—O4—Ba1	104.7 (3)
O4^i—Lu1—O2	94.4 (2)	Lu1^i—O4—Ba1	96.0 (2)
F1—Lu1—O2^ix	91.4 (2)	Ba1^iv—O4—Ba1	88.70 (17)
O6^viii—Lu1—O2^ix	95.3 (2)	Si2—O5—Lu1	123.3 (3)
O5—Lu1—O2^ix	166.2 (2)	Si2—O5—Ba1^iii	120.6 (3)
O4^i—Lu1—O2^ix	105.6 (2)	Lu1—O5—Ba1^iii	110.1 (2)
O2—Lu1—O2^ix	75.2 (2)	Si2—O5—Ba1^x	94.5 (3)
F1—Lu1—Si2	115.99 (17)	Lu1—O5—Ba1^x	92.2 (2)
O6^viii—Lu1—Si2	99.96 (17)	Ba1^iii—O5—Ba1^x	108.13 (19)
O5—Lu1—Si2	23.49 (16)	Si2—O6—Lu1^vii	128.5 (4)
O4^i—Lu1—Si2	73.86 (16)	Si2—O6—Ba1^v	102.8 (3)
O2—Lu1—Si2	75.64 (16)	Lu1^vii—O6—Ba1^v	108.8 (2)
O2^ix—Lu1—Si2	150.70 (16)	Si2—O6—Ba1^x	101.9 (3)
F1—Lu1—Lu1^ix	127.62 (17)	Lu1^vii—O6—Ba1^x	105.3 (2)
O6^viii—Lu1—Lu1^ix	109.51 (16)	Ba1^v—O6—Ba1^x	108.2 (2)
O5—Lu1—Lu1^ix	132.20 (16)	Lu1—F1—Ba1^i	118.6 (2)
O4^i—Lu1—Lu1^ix	102.61 (16)	Lu1—F1—Ba1^xi	112.4 (2)
O2—Lu1—Lu1^ix	37.68 (15)	Ba1^i—F1—Ba1^xi	116.4 (2)
O2^ix—Lu1—Lu1^ix	37.53 (16)	Lu1—F1—Ba1^x	86.84 (18)
Si2—Lu1—Lu1^ix	113.27 (6)	Ba1^i—F1—Ba1^x	89.98 (16)
F1—Lu1—Ba1^x	59.40 (16)	Ba1^xi—F1—Ba1^x	129.0 (2)

Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, y, z−1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z; (v) −x+2, −y+1, −z+1; (vi) x, y, z−1; (vii) x+1, y, z; (viii) x−1, y, z; (ix) −x, −y, −z+1; (x) x, y, z+1; (xi) x−1, y, z+1.