Order–disorder character and twinning in the structure of a new synthetic titanosilicate: (Ba,Sr)₄Ti₆Si₄O₂₄·H₂O

Prismatic crystals of the title compound, up to 100 µm long and {001} twinned by metric merohedry, were obtained as a side-product of a hydrothermal run devoted to synthesizing the heterophyllosilicate lamprophyllite. Single-crystal X-ray diffraction data were collected on a Bruker-AXS Smart Apex diffractometer from a crystal with approximate composition (Ba_0.80Sr_0.20)₄Ti₆Si₄O₂₄·H₂O. The structure was solved and refined as a disordered structure in the space group Cmmm [a_o = 5.906 (2), b_o = 20.618 (8), c_o = 16.719 (6) Å, R = 0.089 for 682 reflections with I_o > 2σ(I_o)], and then deciphered by the order–disorder (OD) theory as an ordered structure and refined in the space group P2/c [a = 5.906, b = 16.719, c = 10.724 Å, β = 105.99°, R = 0.083 for 1090 reflections with I_o > 2σ(I_o)]. The discussion based on the OD theory shows that the refined ordered structure corresponds to one (2M) of two maximum degree of order (MDO) polytypes. The structure of the second MDO polytype (4O) was modelled but not refined because it does not substantially occur in our sample. In the structure, infinite (001) ribbons of Ti octahedra elongated along the [100] direction are connected by (SiO₃)₄ four-membered rings, thus realising a new type of heteropolyhedral framework. The ribbons are three-octahedra wide and one-octahedron thick; they are formed by linking, via edge-sharing, rutile-type edge-sharing rows of octahedra. This ribbon represents a slice of the octahedral sheet that occurs in perrierite-(Ce), Ce₄MgFe₂Ti₂O₈(Si₂O₇)₂. The (Ba,Sr) ions are hosted within two independent [100] narrow channels both delimited by four Ti octahedra and four Si tetrahedra. The disorder of H₂O is discussed on the basis of a Raman spectrum.

Computing details

Program(s) used to solve structure: SHELXL97 (Sheldrick, 1990) for (I); SHELXS97 (Sheldrick, 1997) for (II). For both compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS 6.2.

(I) Tetrabarium Hexatitanium Tetrasilicate Monohydrate

Crystal data

(Ba·Sr)4Ti6Si4O24(H2O)	Dx = 4.408 Mg m^−3
Mr = 1351.14	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Cmmm	Cell parameters from 1411 reflections
a = 5.906 (2) Å	θ = 1.2–27.9°
b = 20.618 (8) Å	µ = 10.18 mm^−1
c = 16.719 (6) Å	T = 293 K
V = 2035.9 (13) Å^3	Prismatic, opaque grey
Z = 4	0.13 × 0.01 × 0.01 mm
F(000) = 2456

Data collection

Bruker-AXS Smart Apex diffractometer	1411 independent reflections
Radiation source: fine-focus sealed tube	692 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.339
phi/ω scans	θmax = 27.9°, θmin = 1.2°
Absorption correction: multi-scan Bruker SADABS	h = −7→7
Tmin = 0.363, Tmax = 0.905	k = −26→26
10044 measured reflections	l = −21→21

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.089	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.239	w = 1/[σ^2(Fo^2) + (0.0966P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.04	(Δ/σ)max < 0.001
1411 reflections	Δρmax = 3.70 e Å^−3
96 parameters	Δρmin = −4.12 e Å^−3
0 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0015 (2)

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ba1	0.0000	0.09937 (9)	0.12451 (13)	0.0129 (6)
Ba2	0.2426 (4)	0.15065 (17)	0.3758 (2)	0.0241 (8)	0.50
Ti1	0.2500	0.2500	0.0000	0.008 (2)
Ti2	0.5000	0.0000	0.5000	0.010 (3)
Ti3	0.0000	0.0000	0.5000	0.013 (3)
Ti4	0.0000	0.2601 (3)	−0.1978 (4)	0.0138 (15)
Ti5	0.7571 (12)	0.0000	0.3017 (5)	0.033 (3)
Si1	0.252 (3)	−0.1380 (9)	0.5000	0.014 (4)*	0.50
Si2	−0.2500	0.2500	−0.3676 (11)	0.014 (4)*	0.50
Si3	0.5000	0.0000	0.1336 (6)	0.002 (2)*
Si4	0.5000	0.1113 (5)	0.0000	0.006 (2)*
O1	0.5000	0.0638 (11)	0.0769 (13)	0.011 (5)*
O2	0.0000	0.2444 (10)	−0.0780 (16)	0.008 (6)*
O3	0.5000	0.0633 (15)	0.3053 (16)	0.019 (6)
O4	0.0000	0.2525 (10)	−0.317 (2)	0.018 (8)*
O5	1.0000	−0.0622 (11)	0.2971 (14)	0.009 (5)*
O6	0.0000	−0.099 (2)	0.5000	0.018 (8)
O7	0.5000	−0.0969 (19)	0.5000	0.015 (7)
O8	0.753 (3)	0.0000	0.4225 (17)	0.015 (8)
O9	0.250 (2)	0.1875 (11)	−0.1991 (13)	0.013 (5)*
O10	0.734 (3)	0.0000	0.1803 (16)	0.006 (6)*
O11	0.273 (4)	0.1537 (14)	0.0000	0.008 (5)*
O12	0.246 (5)	0.1849 (16)	0.424 (2)	0.015 (7)*	0.50
OW1	0.0000	0.0000	0.0000	0.053 (19)*
OW2	0.2500	0.2500	0.5000	0.014 (13)*	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.0090 (9)	0.0156 (10)	0.0141 (9)	0.000	0.000	−0.0006 (8)
Ba2	0.0121 (15)	0.0314 (17)	0.0288 (15)	−0.0009 (10)	−0.0022 (12)	0.0035 (15)
Ti1	0.005 (7)	0.008 (5)	0.010 (5)	0.001 (2)	0.000	0.000
Ti2	0.005 (7)	0.019 (7)	0.006 (5)	0.000	0.000	0.000
Ti3	0.009 (8)	0.018 (7)	0.011 (6)	0.000	0.000	0.000
Ti4	0.017 (4)	0.017 (3)	0.008 (3)	0.000	0.000	0.000 (2)
Ti5	0.024 (5)	0.070 (7)	0.004 (3)	0.000	−0.001 (2)	0.000
O3	0.005 (10)	0.035 (14)	0.016 (11)	0.000	0.000	0.004 (9)
O6	0.015 (16)	0.023 (16)	0.016 (15)	0.000	0.000	0.000
O7	0.009 (15)	0.020 (15)	0.016 (14)	0.000	0.000	0.000
O8	0.008 (12)	0.029 (14)	0.008 (10)	0.000	−0.004 (7)	0.000

Geometric parameters (Å, º)

Ba1—O9^i	2.65 (2)	Si1—O12^vii	1.60 (3)
Ba1—O9^ii	2.654 (19)	Si1—O7	1.69 (2)
Ba1—O10^iii	2.744 (14)	Si1—O6	1.69 (3)
Ba1—O10^iv	2.744 (14)	Si1—Ba2^xvii	2.094 (4)
Ba1—O11^v	2.860 (16)	Si1—Ba2^vii	2.094 (4)
Ba1—O11	2.860 (16)	Si1—OW2^vii	2.310 (18)
Ba1—OW1	2.921 (2)	Si1—Ba2^xix	3.594 (13)
Ba1—O5^iv	2.99 (2)	Si1—Ba2^ix	3.594 (13)
Ba1—O2^i	3.09 (2)	Si1—Ba2^iv	3.645 (14)
Ba1—O1^iii	3.145 (8)	Si1—Ba2^x	3.645 (14)
Ba1—O1	3.145 (8)	Si2—O12^xiii	1.64 (3)
Ba1—Ti4^i	3.534 (7)	Si2—O12^ii	1.64 (3)
Ba2—O12	1.07 (3)	Si2—O4	1.706 (19)
Ba2—Si2^vi	2.053 (4)	Si2—O4^xxii	1.706 (19)
Ba2—Si1^vii	2.094 (4)	Si2—Ba2^xiii	2.053 (4)
Ba2—O3	2.63 (2)	Si2—Ba2^ii	2.053 (4)
Ba2—O5^iv	2.67 (2)	Si2—OW2^xiii	2.214 (19)
Ba2—O4^viii	2.70 (2)	Si2—Ba2^xxiv	3.561 (3)
Ba2—O4^i	2.73 (2)	Si2—Ba2^i	3.561 (3)
Ba2—O6^ix	2.738 (16)	Si2—Ba2^viii	3.632 (3)
Ba2—O7^x	2.802 (16)	Si2—Ba2^xxv	3.633 (3)
Ba2—Ba2^v	2.865 (5)	Si3—O10	1.59 (2)
Ba2—OW2	2.917 (4)	Si3—O10^iv	1.59 (2)
Ba2—Ba2^xi	3.041 (5)	Si3—O1	1.62 (2)
Ti1—O2^viii	1.973 (18)	Si3—O1^iv	1.62 (2)
Ti1—O2	1.973 (18)	Si3—Ba1^xv	3.5973 (15)
Ti1—O2^xii	1.973 (18)	Si3—Ba1^xix	3.5973 (15)
Ti1—O2^i	1.973 (18)	Si3—Ba1^iv	3.5973 (15)
Ti1—O11^viii	1.99 (3)	Si4—O11^xi	1.60 (3)
Ti1—O11	1.99 (3)	Si4—O11	1.60 (3)
Ti1—Ti1^vi	2.9530 (10)	Si4—O1^i	1.62 (2)
Ti1—Ti1^xiii	2.9530 (10)	Si4—O1	1.62 (2)
Ti1—Ba1^xii	4.020 (2)	Si4—Ba1^i	3.6214 (17)
Ti1—Ba1^viii	4.020 (2)	Si4—Ba1^xv	3.6214 (17)
Ti1—Ba1^i	4.020 (2)	Si4—Ba1^xxvi	3.6214 (17)
Ti2—O8^xiv	1.98 (2)	O1—Ba1^xv	3.145 (8)
Ti2—O8^iv	1.98 (2)	O2—Ti1^xiii	1.973 (18)
Ti2—O8^x	1.98 (2)	O2—Ba1^i	3.09 (2)
Ti2—O8	1.98 (2)	O3—Ti5^iv	2.00 (2)
Ti2—O7^x	2.00 (4)	O3—Ba2^xi	2.63 (2)
Ti2—O7	2.00 (4)	O4—Si2^v	1.706 (19)
Ti2—Ti3	2.9530 (10)	O4—Ba2^viii	2.70 (2)
Ti2—Ti3^xv	2.9530 (10)	O4—Ba2^xiii	2.70 (2)
Ti2—Ba2^xvi	4.034 (4)	O4—Ba2^ii	2.73 (2)
Ti2—Ba2^xi	4.034 (4)	O4—Ba2^i	2.73 (2)
Ti2—Ba2^xvii	4.034 (4)	O5—Ti5^xxiii	1.925 (16)
Ti2—Ba2^xiv	4.034 (3)	O5—Ba2^iv	2.67 (2)
Ti3—O8^x	1.95 (2)	O5—Ba2^xxvii	2.67 (2)
Ti3—O8^iii	1.95 (2)	O5—Ba1^iv	2.99 (2)
Ti3—O8^iv	1.95 (2)	O6—Si1^v	1.69 (3)
Ti3—O8^xviii	1.95 (2)	O6—Ba2^xix	2.738 (16)
Ti3—O6^ix	2.04 (4)	O6—Ba2^xvii	2.738 (16)
Ti3—O6	2.04 (4)	O6—Ba2^vii	2.738 (16)
Ti3—Ti2^iii	2.9530 (10)	O6—Ba2^ix	2.738 (16)
Ti3—Ba2^xiv	4.002 (4)	O7—Si1^xi	1.69 (2)
Ti3—Ba2^v	4.002 (3)	O7—Ba2^xvii	2.802 (16)
Ti3—Ba2^xix	4.002 (4)	O7—Ba2^iv	2.802 (16)
Ti3—Ba2^xx	4.002 (3)	O7—Ba2^x	2.802 (16)
Ti4—O9^xii	1.828 (18)	O7—Ba2^vii	2.802 (16)
Ti4—O9^xxi	1.828 (18)	O8—Ti3^xv	1.95 (2)
Ti4—O4	1.99 (3)	O8—Ba2^xi	3.203 (8)
Ti4—O2	2.03 (3)	O8—Ba2^iv	3.203 (8)
Ti4—O9^v	2.103 (19)	O9—Ti4^xii	1.828 (18)
Ti4—O9	2.103 (19)	O9—Ba1^i	2.654 (19)
Ti4—Ti4^xxii	2.982 (2)	O9—Ba2^i	3.05 (2)
Ti4—Ti4^xii	2.982 (2)	O10—Ba1^xv	2.744 (14)
Ti4—Ba1^i	3.534 (7)	O10—Ba1^iv	2.744 (14)
Ti4—Ba2^xiii	3.814 (7)	O11—Ba1^i	2.860 (16)
Ti4—Ba2^viii	3.814 (7)	O12—Si1^vii	1.60 (3)
Ti4—Ba2^ii	4.000 (7)	O12—Si2^vi	1.64 (3)
Ti5—O5^xxiii	1.925 (16)	O12—Ba2^v	3.08 (3)
Ti5—O5	1.925 (16)	O12—Ba2^xi	3.20 (3)
Ti5—O3	2.00 (2)	OW1—Ba1^i	2.921 (2)
Ti5—O3^iv	2.00 (2)	OW1—Ba1^xxviii	2.921 (2)
Ti5—O8	2.02 (3)	OW1—Ba1^xix	2.921 (2)
Ti5—O10	2.03 (3)	OW2—Si2^vi	2.214 (19)
Ti5—Ti5^xxiii	2.869 (14)	OW2—Si2^xxix	2.214 (19)
Ti5—Ti5^iv	3.037 (14)	OW2—Si1^xxx	2.310 (18)
Ti5—Ba2^xi	3.344 (5)	OW2—Si1^vii	2.310 (18)
Ti5—Ba2^iv	3.344 (5)	OW2—Ba2^xii	2.917 (4)
Ti5—Ba1^xv	3.877 (7)	OW2—Ba2^xxxi	2.917 (4)
Ti5—Ba1^iv	3.877 (7)	OW2—Ba2^xiv	2.917 (4)
Si1—O12^xvii	1.60 (3)
O9^i—Ba1—O9^ii	67.6 (7)	O5^xxiii—Ti5—O5	83.5 (11)
O9^i—Ba1—O10^iii	132.1 (7)	O5^xxiii—Ti5—O3	97.6 (10)
O9^ii—Ba1—O10^iii	91.9 (6)	O5—Ti5—O3	178.8 (9)
O9^i—Ba1—O10^iv	91.9 (6)	O5^xxiii—Ti5—O3^iv	178.8 (9)
O9^ii—Ba1—O10^iv	132.1 (7)	O5—Ti5—O3^iv	97.6 (10)
O10^iii—Ba1—O10^iv	69.8 (7)	O3—Ti5—O3^iv	81.3 (13)
O9^i—Ba1—O11^v	112.8 (7)	O5^xxiii—Ti5—O8	92.8 (9)
O9^ii—Ba1—O11^v	76.1 (6)	O5—Ti5—O8	92.8 (9)
O10^iii—Ba1—O11^v	102.6 (7)	O3—Ti5—O8	87.8 (9)
O10^iv—Ba1—O11^v	149.5 (7)	O3^iv—Ti5—O8	87.8 (9)
O9^i—Ba1—O11	76.1 (6)	O5^xxiii—Ti5—O10	90.6 (8)
O9^ii—Ba1—O11	112.8 (7)	O5—Ti5—O10	90.6 (8)
O10^iii—Ba1—O11	149.5 (7)	O3—Ti5—O10	88.8 (9)
O10^iv—Ba1—O11	102.6 (7)	O3^iv—Ti5—O10	88.8 (10)
O11^v—Ba1—O11	68.5 (8)	O8—Ti5—O10	175.5 (9)
O9^i—Ba1—OW1	144.6 (4)	O5^xxiii—Ti5—Ti5^xxiii	41.8 (5)
O9^ii—Ba1—OW1	144.6 (4)	O5—Ti5—Ti5^xxiii	41.8 (5)
O10^iii—Ba1—OW1	73.6 (5)	O3—Ti5—Ti5^xxiii	139.3 (7)
O10^iv—Ba1—OW1	73.6 (5)	O3^iv—Ti5—Ti5^xxiii	139.3 (7)
O11^v—Ba1—OW1	75.9 (5)	O8—Ti5—Ti5^xxiii	90.7 (6)
O11—Ba1—OW1	75.9 (5)	O10—Ti5—Ti5^xxiii	93.8 (6)
O9^i—Ba1—O5^iv	73.9 (6)	O5^xxiii—Ti5—Ti5^iv	138.2 (5)
O9^ii—Ba1—O5^iv	73.9 (6)	O5—Ti5—Ti5^iv	138.2 (5)
O10^iii—Ba1—O5^iv	58.7 (7)	O3—Ti5—Ti5^iv	40.7 (7)
O10^iv—Ba1—O5^iv	58.7 (7)	O3^iv—Ti5—Ti5^iv	40.7 (7)
O11^v—Ba1—O5^iv	143.5 (4)	O8—Ti5—Ti5^iv	89.3 (6)
O11—Ba1—O5^iv	143.5 (4)	O10—Ti5—Ti5^iv	86.2 (6)
OW1—Ba1—O5^iv	120.6 (4)	Ti5^xxiii—Ti5—Ti5^iv	180.000 (1)
O9^i—Ba1—O2^i	57.0 (6)	O5^xxiii—Ti5—Ba2^xi	52.8 (6)
O9^ii—Ba1—O2^i	57.0 (6)	O5—Ti5—Ba2^xi	129.3 (6)
O10^iii—Ba1—O2^i	143.9 (3)	O3—Ti5—Ba2^xi	52.0 (7)
O10^iv—Ba1—O2^i	143.9 (3)	O3^iv—Ti5—Ba2^xi	126.5 (7)
O11^v—Ba1—O2^i	55.8 (7)	O8—Ti5—Ba2^xi	68.26 (14)
O11—Ba1—O2^i	55.8 (7)	O10—Ti5—Ba2^xi	111.69 (14)
OW1—Ba1—O2^i	120.0 (5)	Ti5^xxiii—Ti5—Ba2^xi	89.97 (13)
O5^iv—Ba1—O2^i	119.5 (7)	Ti5^iv—Ti5—Ba2^xi	90.03 (12)
O9^i—Ba1—O1^iii	143.2 (5)	O5^xxiii—Ti5—Ba2^iv	129.3 (6)
O9^ii—Ba1—O1^iii	75.9 (5)	O5—Ti5—Ba2^iv	52.8 (6)
O10^iii—Ba1—O1^iii	51.3 (6)	O3—Ti5—Ba2^iv	126.5 (7)
O10^iv—Ba1—O1^iii	116.7 (5)	O3^iv—Ti5—Ba2^iv	52.0 (7)
O11^v—Ba1—O1^iii	51.6 (6)	O8—Ti5—Ba2^iv	68.26 (14)
O11—Ba1—O1^iii	115.8 (5)	O10—Ti5—Ba2^iv	111.69 (14)
OW1—Ba1—O1^iii	69.9 (4)	Ti5^xxiii—Ti5—Ba2^iv	89.97 (13)
O5^iv—Ba1—O1^iii	100.6 (4)	Ti5^iv—Ti5—Ba2^iv	90.03 (13)
O2^i—Ba1—O1^iii	99.3 (4)	Ba2^xi—Ti5—Ba2^iv	136.5 (3)
O9^i—Ba1—O1	75.9 (5)	O5^xxiii—Ti5—Ba1^xv	48.8 (7)
O9^ii—Ba1—O1	143.2 (5)	O5—Ti5—Ba1^xv	92.6 (7)
O10^iii—Ba1—O1	116.7 (5)	O3—Ti5—Ba1^xv	87.7 (7)
O10^iv—Ba1—O1	51.3 (6)	O3^iv—Ti5—Ba1^xv	130.4 (8)
O11^v—Ba1—O1	115.8 (5)	O8—Ti5—Ba1^xv	140.2 (4)
O11—Ba1—O1	51.6 (6)	O10—Ti5—Ba1^xv	42.5 (4)
OW1—Ba1—O1	69.9 (4)	Ti5^xxiii—Ti5—Ba1^xv	68.28 (10)
O5^iv—Ba1—O1	100.6 (4)	Ti5^iv—Ti5—Ba1^xv	111.72 (10)
O2^i—Ba1—O1	99.3 (4)	Ba2^xi—Ti5—Ba1^xv	77.99 (9)
O1^iii—Ba1—O1	139.8 (8)	Ba2^iv—Ti5—Ba1^xv	140.7 (2)
O9^i—Ba1—Ti4^i	36.3 (4)	O5^xxiii—Ti5—Ba1^iv	92.6 (7)
O9^ii—Ba1—Ti4^i	36.3 (4)	O5—Ti5—Ba1^iv	48.8 (7)
O10^iii—Ba1—Ti4^i	125.6 (4)	O3—Ti5—Ba1^iv	130.4 (8)
O10^iv—Ba1—Ti4^i	125.6 (4)	O3^iv—Ti5—Ba1^iv	87.7 (7)
O11^v—Ba1—Ti4^i	83.4 (5)	O8—Ti5—Ba1^iv	140.2 (4)
O11—Ba1—Ti4^i	83.4 (5)	O10—Ti5—Ba1^iv	42.5 (4)
OW1—Ba1—Ti4^i	154.84 (13)	Ti5^xxiii—Ti5—Ba1^iv	68.28 (10)
O5^iv—Ba1—Ti4^i	84.6 (5)	Ti5^iv—Ti5—Ba1^iv	111.72 (10)
O2^i—Ba1—Ti4^i	34.9 (5)	Ba2^xi—Ti5—Ba1^iv	140.7 (2)
O1^iii—Ba1—Ti4^i	107.8 (4)	Ba2^iv—Ti5—Ba1^iv	77.99 (9)
O1—Ba1—Ti4^i	107.8 (4)	Ba1^xv—Ti5—Ba1^iv	63.80 (14)
O12—Ba2—Si2^vi	52.5 (19)	O12^xvii—Si1—O12^vii	105 (3)
O12—Ba2—Si1^vii	48.5 (19)	O12^xvii—Si1—O7	108.8 (14)
Si2^vi—Ba2—Si1^vii	101.0 (7)	O12^vii—Si1—O7	108.8 (14)
O12—Ba2—O3	140.8 (16)	O12^xvii—Si1—O6	105.6 (14)
Si2^vi—Ba2—O3	129.8 (6)	O12^vii—Si1—O6	105.6 (14)
Si1^vii—Ba2—O3	110.0 (7)	O7—Si1—O6	122 (2)
O12—Ba2—O5^iv	146.4 (16)	O12^xvii—Si1—Ba2^xvii	30.1 (12)
Si2^vi—Ba2—O5^iv	131.4 (6)	O12^vii—Si1—Ba2^xvii	135.5 (16)
Si1^vii—Ba2—O5^iv	114.7 (7)	O7—Si1—Ba2^xvii	94.9 (5)
O3—Ba2—O5^iv	67.8 (6)	O6—Si1—Ba2^xvii	92.0 (5)
O12—Ba2—O4^viii	77.0 (18)	O12^xvii—Si1—Ba2^vii	135.5 (16)
Si2^vi—Ba2—O4^viii	39.2 (5)	O12^vii—Si1—Ba2^vii	30.1 (12)
Si1^vii—Ba2—O4^viii	116.2 (8)	O7—Si1—Ba2^vii	94.9 (5)
O3—Ba2—O4^viii	91.0 (7)	O6—Si1—Ba2^vii	92.0 (5)
O5^iv—Ba2—O4^viii	128.9 (8)	Ba2^xvii—Si1—Ba2^vii	165.3 (10)
O12—Ba2—O4^i	77.0 (18)	O12^xvii—Si1—OW2^vii	52.7 (13)
Si2^vi—Ba2—O4^i	38.7 (5)	O12^vii—Si1—OW2^vii	52.7 (13)
Si1^vii—Ba2—O4^i	118.0 (8)	O7—Si1—OW2^vii	120.3 (15)
O3—Ba2—O4^i	131.8 (8)	O6—Si1—OW2^vii	118.0 (15)
O5^iv—Ba2—O4^i	93.7 (7)	Ba2^xvii—Si1—OW2^vii	82.8 (5)
O4^viii—Ba2—O4^i	66.0 (3)	Ba2^vii—Si1—OW2^vii	82.8 (5)
O12—Ba2—O6^ix	72.4 (19)	O12^xvii—Si1—Ba2^xix	58.6 (11)
Si2^vi—Ba2—O6^ix	116.7 (9)	O12^vii—Si1—Ba2^xix	113.5 (13)
Si1^vii—Ba2—O6^ix	38.1 (5)	O7—Si1—Ba2^xix	137.8 (8)
O3—Ba2—O6^ix	112.1 (10)	O6—Si1—Ba2^xix	47.1 (8)
O5^iv—Ba2—O6^ix	80.1 (7)	Ba2^xvii—Si1—Ba2^xix	52.8 (3)
O4^viii—Ba2—O6^ix	149.4 (9)	Ba2^vii—Si1—Ba2^xix	122.8 (6)
O4^i—Ba2—O6^ix	107.4 (8)	OW2^vii—Si1—Ba2^xix	85.6 (4)
O12—Ba2—O7^x	72.1 (18)	O12^xvii—Si1—Ba2^ix	113.5 (13)
Si2^vi—Ba2—O7^x	115.6 (8)	O12^vii—Si1—Ba2^ix	58.6 (11)
Si1^vii—Ba2—O7^x	37.0 (5)	O7—Si1—Ba2^ix	137.8 (8)
O3—Ba2—O7^x	75.4 (7)	O6—Si1—Ba2^ix	47.1 (8)
O5^iv—Ba2—O7^x	112.8 (9)	Ba2^xvii—Si1—Ba2^ix	122.8 (6)
O4^viii—Ba2—O7^x	105.0 (7)	Ba2^vii—Si1—Ba2^ix	52.8 (3)
O4^i—Ba2—O7^x	149.1 (9)	OW2^vii—Si1—Ba2^ix	85.6 (4)
O6^ix—Ba2—O7^x	64.4 (4)	Ba2^xix—Si1—Ba2^ix	70.6 (3)
O12—Ba2—Ba2^v	91.2 (16)	O12^xvii—Si1—Ba2^iv	61.4 (11)
Si2^vi—Ba2—Ba2^v	91.22 (7)	O12^vii—Si1—Ba2^iv	115.3 (13)
Si1^vii—Ba2—Ba2^v	91.5 (5)	O7—Si1—Ba2^iv	47.7 (8)
O3—Ba2—Ba2^v	125.2 (4)	O6—Si1—Ba2^iv	139.0 (8)
O5^iv—Ba2—Ba2^v	57.5 (3)	Ba2^xvii—Si1—Ba2^iv	56.5 (3)
O4^viii—Ba2—Ba2^v	124.3 (3)	Ba2^vii—Si1—Ba2^iv	125.3 (6)
O4^i—Ba2—Ba2^v	58.3 (3)	OW2^vii—Si1—Ba2^iv	86.1 (4)
O6^ix—Ba2—Ba2^v	58.5 (2)	Ba2^xix—Si1—Ba2^iv	109.33 (11)
O7^x—Ba2—Ba2^v	122.9 (2)	Ba2^ix—Si1—Ba2^iv	171.7 (6)
O12—Ba2—OW2	3.3 (18)	O12^xvii—Si1—Ba2^x	115.3 (13)
Si2^vi—Ba2—OW2	49.2 (5)	O12^vii—Si1—Ba2^x	61.4 (11)
Si1^vii—Ba2—OW2	51.8 (5)	O7—Si1—Ba2^x	47.7 (8)
O3—Ba2—OW2	142.1 (4)	O6—Si1—Ba2^x	139.0 (8)
O5^iv—Ba2—OW2	147.1 (3)	Ba2^xvii—Si1—Ba2^x	125.3 (6)
O4^viii—Ba2—OW2	74.5 (6)	Ba2^vii—Si1—Ba2^x	56.5 (3)
O4^i—Ba2—OW2	74.1 (6)	OW2^vii—Si1—Ba2^x	86.1 (4)
O6^ix—Ba2—OW2	75.0 (7)	Ba2^xix—Si1—Ba2^x	171.7 (6)
O7^x—Ba2—OW2	75.0 (7)	Ba2^ix—Si1—Ba2^x	109.33 (11)
Ba2^v—Ba2—OW2	90.86 (5)	Ba2^iv—Si1—Ba2^x	69.5 (3)
O12—Ba2—Ba2^xi	88.8 (16)	O12^xiii—Si2—O12^ii	110 (3)
Si2^vi—Ba2—Ba2^xi	88.78 (7)	O12^xiii—Si2—O4	105.9 (13)
Si1^vii—Ba2—Ba2^xi	88.5 (5)	O12^ii—Si2—O4	107.5 (13)
O3—Ba2—Ba2^xi	54.8 (4)	O12^xiii—Si2—O4^xxii	107.5 (13)
O5^iv—Ba2—Ba2^xi	122.5 (3)	O12^ii—Si2—O4^xxii	105.9 (13)
O4^viii—Ba2—Ba2^xi	55.7 (3)	O4—Si2—O4^xxii	120 (2)
O4^i—Ba2—Ba2^xi	121.7 (3)	O12^xiii—Si2—Ba2^xiii	31.2 (12)
O6^ix—Ba2—Ba2^xi	121.5 (2)	O12^ii—Si2—Ba2^xiii	141.1 (16)
O7^x—Ba2—Ba2^xi	57.1 (2)	O4—Si2—Ba2^xiii	91.2 (7)
Ba2^v—Ba2—Ba2^xi	180.0 (3)	O4^xxii—Si2—Ba2^xiii	92.6 (7)
OW2—Ba2—Ba2^xi	89.14 (5)	O12^xiii—Si2—Ba2^ii	141.1 (16)
O2^viii—Ti1—O2	180.000 (1)	O12^ii—Si2—Ba2^ii	31.2 (12)
O2^viii—Ti1—O2^xii	82.7 (12)	O4—Si2—Ba2^ii	92.6 (7)
O2—Ti1—O2^xii	97.3 (12)	O4^xxii—Si2—Ba2^ii	91.2 (7)
O2^viii—Ti1—O2^i	97.3 (12)	Ba2^xiii—Si2—Ba2^ii	172.4 (11)
O2—Ti1—O2^i	82.7 (12)	O12^xiii—Si2—OW2^xiii	54.9 (13)
O2^xii—Ti1—O2^i	180.000 (1)	O12^ii—Si2—OW2^xiii	54.9 (13)
O2^viii—Ti1—O11^viii	89.5 (7)	O4—Si2—OW2^xiii	120.0 (11)
O2—Ti1—O11^viii	90.5 (7)	O4^xxii—Si2—OW2^xiii	120.0 (11)
O2^xii—Ti1—O11^viii	89.5 (7)	Ba2^xiii—Si2—OW2^xiii	86.2 (5)
O2^i—Ti1—O11^viii	90.5 (7)	Ba2^ii—Si2—OW2^xiii	86.2 (5)
O2^viii—Ti1—O11	90.5 (7)	O12^xiii—Si2—Ba2^xxiv	59.7 (10)
O2—Ti1—O11	89.5 (7)	O12^ii—Si2—Ba2^xxiv	117.4 (11)
O2^xii—Ti1—O11	90.5 (7)	O4—Si2—Ba2^xxiv	135.2 (9)
O2^i—Ti1—O11	89.5 (7)	O4^xxii—Si2—Ba2^xxiv	47.9 (8)
O11^viii—Ti1—O11	180.000 (1)	Ba2^xiii—Si2—Ba2^xxiv	53.57 (10)
O2^viii—Ti1—Ti1^vi	41.6 (6)	Ba2^ii—Si2—Ba2^xxiv	126.07 (13)
O2—Ti1—Ti1^vi	138.4 (6)	OW2^xiii—Si2—Ba2^xxiv	87.8 (3)
O2^xii—Ti1—Ti1^vi	41.6 (6)	O12^xiii—Si2—Ba2^i	117.4 (11)
O2^i—Ti1—Ti1^vi	138.4 (6)	O12^ii—Si2—Ba2^i	59.7 (10)
O11^viii—Ti1—Ti1^vi	93.8 (6)	O4—Si2—Ba2^i	47.9 (8)
O11—Ti1—Ti1^vi	86.2 (6)	O4^xxii—Si2—Ba2^i	135.2 (9)
O2^viii—Ti1—Ti1^xiii	138.4 (6)	Ba2^xiii—Si2—Ba2^i	126.07 (13)
O2—Ti1—Ti1^xiii	41.6 (6)	Ba2^ii—Si2—Ba2^i	53.57 (10)
O2^xii—Ti1—Ti1^xiii	138.4 (6)	OW2^xiii—Si2—Ba2^i	87.8 (3)
O2^i—Ti1—Ti1^xiii	41.6 (6)	Ba2^xxiv—Si2—Ba2^i	175.6 (6)
O11^viii—Ti1—Ti1^xiii	86.2 (6)	O12^xiii—Si2—Ba2^viii	61.8 (10)
O11—Ti1—Ti1^xiii	93.8 (6)	O12^ii—Si2—Ba2^viii	115.4 (11)
Ti1^vi—Ti1—Ti1^xiii	180.0	O4—Si2—Ba2^viii	44.6 (8)
O2^viii—Ti1—Ba1^xii	48.5 (6)	O4^xxii—Si2—Ba2^viii	138.6 (10)
O2—Ti1—Ba1^xii	131.5 (6)	Ba2^xiii—Si2—Ba2^viii	56.81 (11)
O2^xii—Ti1—Ba1^xii	91.3 (6)	Ba2^ii—Si2—Ba2^viii	122.85 (13)
O2^i—Ti1—Ba1^xii	88.7 (6)	OW2^xiii—Si2—Ba2^viii	87.8 (3)
O11^viii—Ti1—Ba1^xii	41.7 (4)	Ba2^xxiv—Si2—Ba2^viii	110.38 (10)
O11—Ti1—Ba1^xii	138.3 (4)	Ba2^i—Si2—Ba2^viii	69.44 (10)
Ti1^vi—Ti1—Ba1^xii	68.451 (14)	O12^xiii—Si2—Ba2^xxv	115.4 (11)
Ti1^xiii—Ti1—Ba1^xii	111.549 (14)	O12^ii—Si2—Ba2^xxv	61.8 (10)
O2^viii—Ti1—Ba1^viii	91.3 (6)	O4—Si2—Ba2^xxv	138.6 (10)
O2—Ti1—Ba1^viii	88.7 (6)	O4^xxii—Si2—Ba2^xxv	44.6 (8)
O2^xii—Ti1—Ba1^viii	48.5 (6)	Ba2^xiii—Si2—Ba2^xxv	122.85 (13)
O2^i—Ti1—Ba1^viii	131.5 (6)	Ba2^ii—Si2—Ba2^xxv	56.81 (11)
O11^viii—Ti1—Ba1^viii	41.7 (4)	OW2^xiii—Si2—Ba2^xxv	87.8 (3)
O11—Ti1—Ba1^viii	138.3 (4)	Ba2^xxiv—Si2—Ba2^xxv	69.45 (10)
Ti1^vi—Ti1—Ba1^viii	68.451 (14)	Ba2^i—Si2—Ba2^xxv	110.38 (10)
Ti1^xiii—Ti1—Ba1^viii	111.549 (14)	Ba2^viii—Si2—Ba2^xxv	175.7 (6)
Ba1^xii—Ti1—Ba1^viii	62.38 (6)	O10—Si3—O10^iv	121.2 (19)
O2^viii—Ti1—Ba1^i	131.5 (6)	O10—Si3—O1	106.7 (6)
O2—Ti1—Ba1^i	48.5 (6)	O10^iv—Si3—O1	106.7 (6)
O2^xii—Ti1—Ba1^i	88.7 (6)	O10—Si3—O1^iv	106.7 (6)
O2^i—Ti1—Ba1^i	91.3 (6)	O10^iv—Si3—O1^iv	106.7 (6)
O11^viii—Ti1—Ba1^i	138.3 (4)	O1—Si3—O1^iv	108.5 (17)
O11—Ti1—Ba1^i	41.7 (4)	O10—Si3—Ba1^xv	46.0 (6)
Ti1^vi—Ti1—Ba1^i	111.549 (14)	O10^iv—Si3—Ba1^xv	137.4 (6)
Ti1^xiii—Ti1—Ba1^i	68.451 (14)	O1—Si3—Ba1^xv	60.9 (3)
Ba1^xii—Ti1—Ba1^i	180.00 (5)	O1^iv—Si3—Ba1^xv	115.9 (4)
Ba1^viii—Ti1—Ba1^i	117.62 (6)	O10—Si3—Ba1^xix	137.4 (6)
O2^viii—Ti1—Ba1	88.7 (6)	O10^iv—Si3—Ba1^xix	46.0 (6)
O2—Ti1—Ba1	91.3 (6)	O1—Si3—Ba1^xix	115.9 (4)
O2^xii—Ti1—Ba1	131.5 (6)	O1^iv—Si3—Ba1^xix	60.9 (3)
O2^i—Ti1—Ba1	48.5 (6)	Ba1^xv—Si3—Ba1^xix	175.2 (3)
O11^viii—Ti1—Ba1	138.3 (4)	O10—Si3—Ba1	137.4 (6)
O11—Ti1—Ba1	41.7 (4)	O10^iv—Si3—Ba1	46.0 (6)
Ti1^vi—Ti1—Ba1	111.549 (14)	O1—Si3—Ba1	60.9 (3)
Ti1^xiii—Ti1—Ba1	68.451 (14)	O1^iv—Si3—Ba1	115.9 (4)
Ba1^xii—Ti1—Ba1	117.62 (6)	Ba1^xv—Si3—Ba1	110.35 (6)
Ba1^viii—Ti1—Ba1	180.00 (5)	Ba1^xix—Si3—Ba1	69.43 (6)
Ba1^i—Ti1—Ba1	62.38 (6)	O10—Si3—Ba1^iv	46.0 (6)
O8^xiv—Ti2—O8^iv	180.000 (2)	O10^iv—Si3—Ba1^iv	137.4 (6)
O8^xiv—Ti2—O8^x	98.2 (14)	O1—Si3—Ba1^iv	115.9 (4)
O8^iv—Ti2—O8^x	81.8 (14)	O1^iv—Si3—Ba1^iv	60.9 (3)
O8^xiv—Ti2—O8	81.8 (14)	Ba1^xv—Si3—Ba1^iv	69.43 (6)
O8^iv—Ti2—O8	98.2 (14)	Ba1^xix—Si3—Ba1^iv	110.35 (6)
O8^x—Ti2—O8	180.000 (3)	Ba1—Si3—Ba1^iv	175.2 (3)
O8^xiv—Ti2—O7^x	90.000 (4)	O11^xi—Si4—O11	114 (2)
O8^iv—Ti2—O7^x	90.000 (4)	O11^xi—Si4—O1^i	109.3 (6)
O8^x—Ti2—O7^x	90.000 (4)	O11—Si4—O1^i	109.3 (6)
O8—Ti2—O7^x	90.000 (4)	O11^xi—Si4—O1	109.3 (6)
O8^xiv—Ti2—O7	90.000 (3)	O11—Si4—O1	109.3 (6)
O8^iv—Ti2—O7	90.000 (5)	O1^i—Si4—O1	105.4 (17)
O8^x—Ti2—O7	90.000 (4)	O11^xi—Si4—Ba1^i	136.1 (6)
O8—Ti2—O7	90.000 (2)	O11—Si4—Ba1^i	49.7 (6)
O7^x—Ti2—O7	180.000 (1)	O1^i—Si4—Ba1^i	60.1 (3)
O8^xiv—Ti2—Ti3	139.1 (7)	O1—Si4—Ba1^i	114.6 (4)
O8^iv—Ti2—Ti3	40.9 (7)	O11^xi—Si4—Ba1^xv	49.7 (6)
O8^x—Ti2—Ti3	40.9 (7)	O11—Si4—Ba1^xv	136.1 (6)
O8—Ti2—Ti3	139.1 (7)	O1^i—Si4—Ba1^xv	114.6 (4)
O7^x—Ti2—Ti3	90.000 (2)	O1—Si4—Ba1^xv	60.1 (3)
O7—Ti2—Ti3	90.000 (2)	Ba1^i—Si4—Ba1^xv	172.2 (3)
O8^xiv—Ti2—Ti3^xv	40.9 (7)	O11^xi—Si4—Ba1^xxvi	49.7 (6)
O8^iv—Ti2—Ti3^xv	139.1 (7)	O11—Si4—Ba1^xxvi	136.1 (6)
O8^x—Ti2—Ti3^xv	139.1 (7)	O1^i—Si4—Ba1^xxvi	60.1 (3)
O8—Ti2—Ti3^xv	40.9 (7)	O1—Si4—Ba1^xxvi	114.6 (4)
O7^x—Ti2—Ti3^xv	90.000 (2)	Ba1^i—Si4—Ba1^xxvi	109.26 (7)
O7—Ti2—Ti3^xv	90.000 (2)	Ba1^xv—Si4—Ba1^xxvi	70.18 (6)
Ti3—Ti2—Ti3^xv	180.0	O11^xi—Si4—Ba1	136.1 (6)
O8^xiv—Ti2—Ba2^xvi	51.54 (14)	O11—Si4—Ba1	49.7 (6)
O8^iv—Ti2—Ba2^xvi	128.46 (14)	O1^i—Si4—Ba1	114.6 (4)
O8^x—Ti2—Ba2^xvi	87.0 (5)	O1—Si4—Ba1	60.1 (3)
O8—Ti2—Ba2^xvi	93.0 (5)	Ba1^i—Si4—Ba1	70.18 (6)
O7^x—Ti2—Ba2^xvi	39.65 (5)	Ba1^xv—Si4—Ba1	109.26 (7)
O7—Ti2—Ba2^xvi	140.35 (5)	Ba1^xxvi—Si4—Ba1	172.2 (3)
Ti3—Ti2—Ba2^xvi	112.14 (4)	Si4—O1—Si3	163.0 (16)
Ti3^xv—Ti2—Ba2^xvi	67.86 (4)	Si4—O1—Ba1^xv	93.4 (5)
O8^xiv—Ti2—Ba2^xi	93.0 (5)	Si3—O1—Ba1^xv	92.4 (5)
O8^iv—Ti2—Ba2^xi	87.0 (5)	Si4—O1—Ba1	93.4 (5)
O8^x—Ti2—Ba2^xi	128.46 (14)	Si3—O1—Ba1	92.4 (5)
O8—Ti2—Ba2^xi	51.54 (14)	Ba1^xv—O1—Ba1	139.8 (8)
O7^x—Ti2—Ba2^xi	39.65 (5)	Ti1—O2—Ti1^xiii	96.9 (12)
O7—Ti2—Ba2^xi	140.35 (5)	Ti1—O2—Ti4	130.0 (6)
Ti3—Ti2—Ba2^xi	112.14 (4)	Ti1^xiii—O2—Ti4	130.0 (6)
Ti3^xv—Ti2—Ba2^xi	67.86 (4)	Ti1—O2—Ba1^i	102.9 (7)
Ba2^xvi—Ti2—Ba2^xi	61.97 (11)	Ti1^xiii—O2—Ba1^i	102.9 (7)
O8^xiv—Ti2—Ba2^xvii	128.46 (14)	Ti4—O2—Ba1^i	84.6 (8)
O8^iv—Ti2—Ba2^xvii	51.54 (14)	Ti5^iv—O3—Ti5	98.6 (13)
O8^x—Ti2—Ba2^xvii	93.0 (5)	Ti5^iv—O3—Ba2^xi	153.7 (13)
O8—Ti2—Ba2^xvii	87.0 (5)	Ti5—O3—Ba2^xi	91.2 (4)
O7^x—Ti2—Ba2^xvii	140.35 (5)	Ti5^iv—O3—Ba2	91.2 (4)
O7—Ti2—Ba2^xvii	39.65 (5)	Ti5—O3—Ba2	153.7 (13)
Ti3—Ti2—Ba2^xvii	67.86 (4)	Ba2^xi—O3—Ba2	70.5 (8)
Ti3^xv—Ti2—Ba2^xvii	112.14 (4)	Si2—O4—Si2^v	120 (2)
Ba2^xvi—Ti2—Ba2^xvii	180.0	Si2—O4—Ti4	120.0 (11)
Ba2^xi—Ti2—Ba2^xvii	118.03 (11)	Si2^v—O4—Ti4	120.0 (11)
O8^xiv—Ti2—Ba2^xiv	87.0 (5)	Si2—O4—Ba2^viii	109.1 (13)
O8^iv—Ti2—Ba2^xiv	93.0 (5)	Si2^v—O4—Ba2^viii	49.5 (5)
O8^x—Ti2—Ba2^xiv	51.54 (14)	Ti4—O4—Ba2^viii	107.9 (9)
O8—Ti2—Ba2^xiv	128.46 (14)	Si2—O4—Ba2^xiii	49.5 (5)
O7^x—Ti2—Ba2^xiv	39.65 (5)	Si2^v—O4—Ba2^xiii	109.1 (13)
O7—Ti2—Ba2^xiv	140.35 (5)	Ti4—O4—Ba2^xiii	107.9 (9)
Ti3—Ti2—Ba2^xiv	67.86 (4)	Ba2^viii—O4—Ba2^xiii	68.6 (6)
Ti3^xv—Ti2—Ba2^xiv	112.14 (4)	Si2—O4—Ba2^ii	48.8 (5)
Ba2^xvi—Ti2—Ba2^xiv	44.28 (8)	Si2^v—O4—Ba2^ii	104.5 (12)
Ba2^xi—Ti2—Ba2^xiv	79.29 (10)	Ti4—O4—Ba2^ii	115.0 (9)
Ba2^xvii—Ti2—Ba2^xiv	135.72 (8)	Ba2^viii—O4—Ba2^ii	137.1 (13)
O8^x—Ti3—O8^iii	180.000 (2)	Ba2^xiii—O4—Ba2^ii	98.1 (6)
O8^x—Ti3—O8^iv	83.3 (15)	Si2—O4—Ba2^i	104.5 (12)
O8^iii—Ti3—O8^iv	96.7 (15)	Si2^v—O4—Ba2^i	48.8 (5)
O8^x—Ti3—O8^xviii	96.7 (15)	Ti4—O4—Ba2^i	115.0 (9)
O8^iii—Ti3—O8^xviii	83.3 (15)	Ba2^viii—O4—Ba2^i	98.1 (6)
O8^iv—Ti3—O8^xviii	180.000 (3)	Ba2^xiii—O4—Ba2^i	137.1 (13)
O8^x—Ti3—O6^ix	90.000 (4)	Ba2^ii—O4—Ba2^i	63.4 (5)
O8^iii—Ti3—O6^ix	90.000 (4)	Ti5^xxiii—O5—Ti5	96.3 (11)
O8^iv—Ti3—O6^ix	90.000 (4)	Ti5^xxiii—O5—Ba2^iv	146.7 (11)
O8^xviii—Ti3—O6^ix	90.000 (4)	Ti5—O5—Ba2^iv	92.0 (4)
O8^x—Ti3—O6	90.000 (3)	Ti5^xxiii—O5—Ba2^xxvii	92.0 (4)
O8^iii—Ti3—O6	90.000 (5)	Ti5—O5—Ba2^xxvii	146.7 (11)
O8^iv—Ti3—O6	90.000 (3)	Ba2^iv—O5—Ba2^xxvii	65.0 (5)
O8^xviii—Ti3—O6	90.000 (5)	Ti5^xxiii—O5—Ba1^iv	102.1 (8)
O6^ix—Ti3—O6	180.000 (1)	Ti5—O5—Ba1^iv	102.1 (8)
O8^x—Ti3—Ti2	41.6 (8)	Ba2^iv—O5—Ba1^iv	107.5 (7)
O8^iii—Ti3—Ti2	138.4 (8)	Ba2^xxvii—O5—Ba1^iv	107.5 (7)
O8^iv—Ti3—Ti2	41.6 (8)	Si1^v—O6—Si1	123 (3)
O8^xviii—Ti3—Ti2	138.4 (8)	Si1^v—O6—Ti3	118.3 (14)
O6^ix—Ti3—Ti2	90.000 (2)	Si1—O6—Ti3	118.3 (14)
O6—Ti3—Ti2	90.000 (2)	Si1^v—O6—Ba2^xix	49.8 (4)
O8^x—Ti3—Ti2^iii	138.4 (8)	Si1—O6—Ba2^xix	106.0 (13)
O8^iii—Ti3—Ti2^iii	41.6 (8)	Ti3—O6—Ba2^xix	112.9 (8)
O8^iv—Ti3—Ti2^iii	138.4 (8)	Si1^v—O6—Ba2^xvii	106.0 (13)
O8^xviii—Ti3—Ti2^iii	41.6 (8)	Si1—O6—Ba2^xvii	49.8 (4)
O6^ix—Ti3—Ti2^iii	90.000 (2)	Ti3—O6—Ba2^xvii	112.9 (8)
O6—Ti3—Ti2^iii	90.000 (2)	Ba2^xix—O6—Ba2^xvii	63.1 (4)
Ti2—Ti3—Ti2^iii	180.0	Si1^v—O6—Ba2^vii	106.0 (13)
O8^x—Ti3—Ba2^xiv	52.24 (15)	Si1—O6—Ba2^vii	49.8 (4)
O8^iii—Ti3—Ba2^xiv	127.76 (15)	Ti3—O6—Ba2^vii	112.9 (8)
O8^iv—Ti3—Ba2^xiv	94.4 (5)	Ba2^xix—O6—Ba2^vii	134.3 (16)
O8^xviii—Ti3—Ba2^xiv	85.6 (5)	Ba2^xvii—O6—Ba2^vii	98.7 (8)
O6^ix—Ti3—Ba2^xiv	39.09 (5)	Si1^v—O6—Ba2^ix	49.8 (4)
O6—Ti3—Ba2^xiv	140.91 (5)	Si1—O6—Ba2^ix	106.0 (13)
Ti2—Ti3—Ba2^xiv	69.02 (4)	Ti3—O6—Ba2^ix	112.9 (8)
Ti2^iii—Ti3—Ba2^xiv	110.98 (4)	Ba2^xix—O6—Ba2^ix	98.7 (8)
O8^x—Ti3—Ba2^v	127.76 (15)	Ba2^xvii—O6—Ba2^ix	134.3 (16)
O8^iii—Ti3—Ba2^v	52.24 (15)	Ba2^vii—O6—Ba2^ix	63.1 (4)
O8^iv—Ti3—Ba2^v	85.6 (5)	Si1—O7—Si1^xi	120 (3)
O8^xviii—Ti3—Ba2^v	94.4 (5)	Si1—O7—Ti2	120.0 (13)
O6^ix—Ti3—Ba2^v	39.09 (5)	Si1^xi—O7—Ti2	120.0 (13)
O6—Ti3—Ba2^v	140.91 (5)	Si1—O7—Ba2^xvii	48.1 (4)
Ti2—Ti3—Ba2^v	110.98 (4)	Si1^xi—O7—Ba2^xvii	105.8 (13)
Ti2^iii—Ti3—Ba2^v	69.02 (4)	Ti2—O7—Ba2^xvii	113.3 (7)
Ba2^xiv—Ti3—Ba2^v	78.17 (11)	Si1—O7—Ba2^iv	105.8 (13)
O8^x—Ti3—Ba2^xix	127.76 (15)	Si1^xi—O7—Ba2^iv	48.1 (4)
O8^iii—Ti3—Ba2^xix	52.24 (15)	Ti2—O7—Ba2^iv	113.3 (7)
O8^iv—Ti3—Ba2^xix	85.6 (5)	Ba2^xvii—O7—Ba2^iv	65.7 (4)
O8^xviii—Ti3—Ba2^xix	94.4 (5)	Si1—O7—Ba2^x	105.8 (13)
O6^ix—Ti3—Ba2^xix	140.91 (5)	Si1^xi—O7—Ba2^x	48.1 (4)
O6—Ti3—Ba2^xix	39.09 (5)	Ti2—O7—Ba2^x	113.3 (7)
Ti2—Ti3—Ba2^xix	110.98 (4)	Ba2^xvii—O7—Ba2^x	133.4 (15)
Ti2^iii—Ti3—Ba2^xix	69.02 (4)	Ba2^iv—O7—Ba2^x	95.7 (7)
Ba2^xiv—Ti3—Ba2^xix	180.0	Si1—O7—Ba2^vii	48.1 (4)
Ba2^v—Ti3—Ba2^xix	101.83 (11)	Si1^xi—O7—Ba2^vii	105.8 (13)
O8^x—Ti3—Ba2^xx	85.6 (5)	Ti2—O7—Ba2^vii	113.3 (7)
O8^iii—Ti3—Ba2^xx	94.4 (5)	Ba2^xvii—O7—Ba2^vii	95.7 (7)
O8^iv—Ti3—Ba2^xx	127.76 (15)	Ba2^iv—O7—Ba2^vii	133.4 (15)
O8^xviii—Ti3—Ba2^xx	52.24 (15)	Ba2^x—O7—Ba2^vii	65.7 (4)
O6^ix—Ti3—Ba2^xx	39.09 (5)	Ti3^xv—O8—Ti2	97.5 (13)
O6—Ti3—Ba2^xx	140.91 (5)	Ti3^xv—O8—Ti5	131.0 (12)
Ti2—Ti3—Ba2^xx	110.98 (4)	Ti2—O8—Ti5	131.6 (11)
Ti2^iii—Ti3—Ba2^xx	69.02 (4)	Ti3^xv—O8—Ba2^xi	99.0 (4)
Ba2^xiv—Ti3—Ba2^xx	41.96 (8)	Ti2—O8—Ba2^xi	99.5 (4)
Ba2^v—Ti3—Ba2^xx	62.53 (11)	Ti5—O8—Ba2^xi	75.9 (5)
Ba2^xix—Ti3—Ba2^xx	138.04 (8)	Ti3^xv—O8—Ba2^iv	99.0 (4)
O9^xii—Ti4—O9^xxi	107.7 (13)	Ti2—O8—Ba2^iv	99.5 (4)
O9^xii—Ti4—O4	92.0 (8)	Ti5—O8—Ba2^iv	75.9 (5)
O9^xxi—Ti4—O4	92.0 (8)	Ba2^xi—O8—Ba2^iv	151.7 (10)
O9^xii—Ti4—O2	96.1 (8)	Ti4^xii—O9—Ti4	98.4 (10)
O9^xxi—Ti4—O2	96.1 (8)	Ti4^xii—O9—Ba1^i	148.0 (11)
O4—Ti4—O2	166.3 (9)	Ti4—O9—Ba1^i	95.3 (6)
O9^xii—Ti4—O9^v	170.7 (6)	Ti4^xii—O9—Ba2^i	99.8 (8)
O9^xxi—Ti4—O9^v	81.5 (10)	Ti4—O9—Ba2^i	100.2 (8)
O4—Ti4—O9^v	86.2 (7)	Ba1^i—O9—Ba2^i	106.0 (7)
O2—Ti4—O9^v	84.0 (7)	Si3—O10—Ti5	123.2 (13)
O9^xii—Ti4—O9	81.5 (10)	Si3—O10—Ba1^xv	109.4 (9)
O9^xxi—Ti4—O9	170.7 (6)	Ti5—O10—Ba1^xv	107.5 (7)
O4—Ti4—O9	86.2 (7)	Si3—O10—Ba1^iv	109.4 (9)
O2—Ti4—O9	84.0 (7)	Ti5—O10—Ba1^iv	107.5 (7)
O9^v—Ti4—O9	89.2 (10)	Ba1^xv—O10—Ba1^iv	96.6 (7)
O9^xii—Ti4—Ti4^xxii	151.9 (7)	Si4—O11—Ti1	126.9 (14)
O9^xxi—Ti4—Ti4^xxii	44.2 (6)	Si4—O11—Ba1^i	104.9 (10)
O4—Ti4—Ti4^xxii	89.36 (10)	Ti1—O11—Ba1^i	110.7 (7)
O2—Ti4—Ti4^xxii	88.72 (10)	Si4—O11—Ba1	104.9 (10)
O9^v—Ti4—Ti4^xxii	37.3 (5)	Ti1—O11—Ba1	110.7 (7)
O9—Ti4—Ti4^xxii	126.6 (6)	Ba1^i—O11—Ba1	93.4 (7)
O9^xii—Ti4—Ti4^xii	44.2 (6)	Ba2—O12—Si1^vii	101 (2)
O9^xxi—Ti4—Ti4^xii	151.9 (7)	Ba2—O12—Si2^vi	96 (2)
O4—Ti4—Ti4^xii	89.36 (10)	Si1^vii—O12—Si2^vi	162 (3)
O2—Ti4—Ti4^xii	88.72 (10)	Ba2—O12—Ba2^v	68.5 (15)
O9^v—Ti4—Ti4^xii	126.6 (6)	Si1^vii—O12—Ba2^v	95.1 (14)
O9—Ti4—Ti4^xii	37.3 (5)	Si2^vi—O12—Ba2^v	92.9 (13)
Ti4^xxii—Ti4—Ti4^xii	163.9 (5)	Ba2—O12—Ba2^xi	71.6 (15)
O9^xii—Ti4—Ba1^i	123.9 (7)	Si1^vii—O12—Ba2^xi	92.6 (13)
O9^xxi—Ti4—Ba1^i	123.9 (7)	Si2^vi—O12—Ba2^xi	91.4 (12)
O4—Ti4—Ba1^i	105.7 (6)	Ba2^v—O12—Ba2^xi	140.1 (12)
O2—Ti4—Ba1^i	60.5 (6)	Ba1^i—OW1—Ba1	90.91 (9)
O9^v—Ti4—Ba1^i	48.4 (5)	Ba1^i—OW1—Ba1^xxviii	89.09 (9)
O9—Ti4—Ba1^i	48.4 (5)	Ba1—OW1—Ba1^xxviii	180.00 (8)
Ti4^xxii—Ti4—Ba1^i	82.4 (2)	Ba1^i—OW1—Ba1^xix	180.00 (5)
Ti4^xii—Ti4—Ba1^i	82.4 (2)	Ba1—OW1—Ba1^xix	89.09 (9)
O9^xii—Ti4—Ba2^xiii	91.6 (7)	Ba1^xxviii—OW1—Ba1^xix	90.91 (9)
O9^xxi—Ti4—Ba2^xiii	52.0 (7)	Si2^vi—OW2—Si2^xxix	180.000 (2)
O4—Ti4—Ba2^xiii	42.3 (5)	Si2^vi—OW2—Si1^xxx	90.000 (2)
O2—Ti4—Ba2^xiii	147.9 (4)	Si2^xxix—OW2—Si1^xxx	90.000 (2)
O9^v—Ti4—Ba2^xiii	93.2 (6)	Si2^vi—OW2—Si1^vii	90.000 (2)
O9—Ti4—Ba2^xiii	128.0 (7)	Si2^xxix—OW2—Si1^vii	90.000 (2)
Ti4^xxii—Ti4—Ba2^xiii	70.91 (12)	Si1^xxx—OW2—Si1^vii	180.000 (3)
Ti4^xii—Ti4—Ba2^xiii	117.54 (14)	Si2^vi—OW2—Ba2^xii	44.61 (7)
Ba1^i—Ti4—Ba2^xiii	136.29 (17)	Si2^xxix—OW2—Ba2^xii	135.39 (7)
O9^xii—Ti4—Ba2^viii	52.0 (7)	Si1^xxx—OW2—Ba2^xii	45.41 (7)
O9^xxi—Ti4—Ba2^viii	91.6 (7)	Si1^vii—OW2—Ba2^xii	134.59 (7)
O4—Ti4—Ba2^viii	42.3 (5)	Si2^vi—OW2—Ba2	44.61 (7)
O2—Ti4—Ba2^viii	147.9 (4)	Si2^xxix—OW2—Ba2	135.39 (7)
O9^v—Ti4—Ba2^viii	128.0 (7)	Si1^xxx—OW2—Ba2	134.59 (7)
O9—Ti4—Ba2^viii	93.2 (6)	Si1^vii—OW2—Ba2	45.41 (7)
Ti4^xxii—Ti4—Ba2^viii	117.54 (14)	Ba2^xii—OW2—Ba2	89.22 (14)
Ti4^xii—Ti4—Ba2^viii	70.91 (12)	Si2^vi—OW2—Ba2^xxxi	135.39 (7)
Ba1^i—Ti4—Ba2^viii	136.29 (17)	Si2^xxix—OW2—Ba2^xxxi	44.61 (7)
Ba2^xiii—Ti4—Ba2^viii	46.98 (12)	Si1^xxx—OW2—Ba2^xxxi	45.41 (7)
O9^xii—Ti4—Ba2^ii	127.8 (7)	Si1^vii—OW2—Ba2^xxxi	134.59 (7)
O9^xxi—Ti4—Ba2^ii	92.0 (7)	Ba2^xii—OW2—Ba2^xxxi	90.78 (14)
O4—Ti4—Ba2^ii	38.2 (5)	Ba2—OW2—Ba2^xxxi	180.00 (10)
O2—Ti4—Ba2^ii	130.1 (5)	Si2^vi—OW2—Ba2^xiv	135.39 (7)
O9^v—Ti4—Ba2^ii	48.6 (6)	Si2^xxix—OW2—Ba2^xiv	44.61 (7)
O9—Ti4—Ba2^ii	80.9 (6)	Si1^xxx—OW2—Ba2^xiv	134.59 (7)
Ti4^xxii—Ti4—Ba2^ii	64.29 (14)	Si1^vii—OW2—Ba2^xiv	45.41 (7)
Ti4^xii—Ti4—Ba2^ii	105.99 (19)	Ba2^xii—OW2—Ba2^xiv	180.0
Ba1^i—Ti4—Ba2^ii	74.25 (13)	Ba2—OW2—Ba2^xiv	90.78 (14)
Ba2^xiii—Ti4—Ba2^ii	63.20 (14)	Ba2^xxxi—OW2—Ba2^xiv	89.22 (14)
Ba2^viii—Ti4—Ba2^ii	80.49 (17)

Symmetry codes: (i) x, y, −z; (ii) −x, y, −z; (iii) x−1, y, z; (iv) −x+1, −y, z; (v) −x, y, z; (vi) x+1/2, −y+1/2, −z; (vii) x, −y, −z+1; (viii) −x+1/2, −y+1/2, −z; (ix) −x, −y, −z+1; (x) −x+1, −y, −z+1; (xi) −x+1, y, z; (xii) −x+1/2, −y+1/2, z; (xiii) x−1/2, −y+1/2, −z; (xiv) x, y, −z+1; (xv) x+1, y, z; (xvi) −x+1, y, −z+1; (xvii) x, −y, z; (xviii) x−1, y, −z+1; (xix) −x, −y, z; (xx) −x, y, −z+1; (xxi) x−1/2, −y+1/2, z; (xxii) −x−1/2, −y+1/2, z; (xxiii) −x+2, −y, z; (xxiv) −x−1/2, −y+1/2, −z; (xxv) x−1, y, −z; (xxvi) x+1, y, −z; (xxvii) x+1, −y, z; (xxviii) −x, −y, −z; (xxix) −x, y, z+1; (xxx) −x+1/2, y+1/2, z; (xxxi) −x+1/2, −y+1/2, −z+1.

(II) Tetrabarium Hexatitanium Tetrasilicate Monohydrate

Crystal data

H2Ba3.20O25Si4Sr0.80Ti6	F(000) = 1214
Mr = 1311.36	Dx = 4.343 Mg m^−3
Monoclinic, P2/c	Mo Kα radiation, λ = 0.71073 Å
a = 5.906 (2) Å	Cell parameters from 2479 reflections
b = 16.719 (6) Å	θ = 1.2–27.9°
c = 10.724 (5) Å	µ = 10.46 mm^−1
β = 105.99 (5)°	T = 293 K
V = 1017.9 (7) Å^3	Prismatic, opaque grey
Z = 2	0.13 × 0.01 × 0.01 mm

Data collection

Bruker Smart Apex diffractometer	2476 independent reflections
Radiation source: fine-focus sealed tube	1089 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.198
phi/ω scans	θmax = 27.9°, θmin = 1.2°
Absorption correction: multi-scan Bruker SADABS	h = −7→7
Tmin = 0.355, Tmax = 0.903	k = −21→21
10045 measured reflections	l = −14→14

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.083	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.227	w = 1/[σ^2(Fo^2) + (0.1034P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.96	(Δ/σ)max = 0.786
2476 reflections	Δρmax = 2.87 e Å^−3
99 parameters	Δρmin = −2.79 e Å^−3
0 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0039 (6)

Special details

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

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ba1	0.0929 (8)	−0.1256 (2)	−0.0514 (4)	0.0114 (13)	0.78 (5)
Sr1	0.0929 (8)	−0.1256 (2)	−0.0514 (4)	0.0114 (13)	0.22 (5)
Ba2	0.0945 (8)	−0.3744 (3)	−0.0516 (4)	0.0190 (14)	0.85 (5)
Sr2	0.0945 (8)	−0.3744 (3)	−0.0516 (4)	0.0190 (14)	0.15 (5)
Ti1	0.0000	−0.2479 (13)	0.2500	0.0098 (12)
Ti2	0.262 (2)	−0.4477 (6)	0.2709 (10)	0.017 (2)*
Ti3	0.5000	−0.2494 (13)	0.2500	0.0086 (11)
Ti4	0.247 (2)	−0.0518 (6)	0.2674 (10)	0.014 (2)*
Si1	0.5000	−0.1174 (13)	−0.2500	0.007 (5)*
Si2	−0.3881 (11)	−0.2496 (12)	−0.0270 (5)	0.0085 (11)*
Si3	0.5000	−0.3833 (14)	−0.2500	0.011 (5)*
O1	−0.433 (6)	−0.1677 (19)	−0.113 (3)	0.019 (8)*
O2	−0.428 (6)	−0.3225 (17)	−0.128 (3)	0.010 (7)*
O3	0.232 (5)	−0.3277 (15)	0.250 (3)	0.014 (7)*
O4	0.254 (4)	−0.1717 (12)	0.232 (2)	0.000 (5)*
O5	−0.062 (7)	−0.450 (2)	0.133 (3)	0.018 (9)*
O6	−0.065 (5)	−0.0446 (16)	0.119 (2)	0.000 (6)*
O7	−0.570 (7)	−0.446 (3)	0.123 (3)	0.013 (9)*
O8	−0.562 (7)	−0.055 (3)	0.123 (4)	0.014 (9)*
O9	0.257 (6)	−0.0696 (15)	−0.257 (3)	0.010 (6)*
O10	0.275 (5)	−0.4331 (14)	−0.236 (2)	0.004 (6)*
O11	−0.116 (3)	−0.249 (3)	0.0548 (13)	0.013 (3)*
O12	−0.577 (3)	−0.251 (3)	0.0565 (12)	0.008 (3)*
OW1	0.0000	−0.246 (4)	−0.2500	0.023 (6)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ba1	0.009 (3)	0.0118 (17)	0.016 (2)	0.0037 (17)	0.0082 (18)	0.0016 (17)
Sr1	0.009 (3)	0.0118 (17)	0.016 (2)	0.0037 (17)	0.0082 (18)	0.0016 (17)
Ba2	0.012 (3)	0.023 (2)	0.024 (3)	0.0015 (19)	0.0077 (19)	0.0013 (19)
Sr2	0.012 (3)	0.023 (2)	0.024 (3)	0.0015 (19)	0.0077 (19)	0.0013 (19)
Ti1	0.007 (2)	0.010 (3)	0.014 (3)	0.000	0.005 (2)	0.000
Ti3	0.009 (2)	0.006 (2)	0.012 (3)	0.000	0.007 (2)	0.000

Geometric parameters (Å, º)

Ba1—O8^i	2.64 (4)	Ti3—Ba1^viii	4.029 (12)
Ba1—O6	2.65 (3)	Ti3—Sr1^viii	4.029 (12)
Ba1—O9^ii	2.65 (3)	Ti4—O6^v	1.83 (3)
Ba1—O11	2.80 (4)	Ti4—O8^v	1.91 (4)
Ba1—O9	2.80 (3)	Ti4—O4	2.04 (2)
Ba1—OW1	2.87 (5)	Ti4—O9^ix	2.05 (3)
Ba1—O12^i	2.88 (4)	Ti4—O6	2.08 (3)
Ba1—O6^iii	2.93 (3)	Ti4—O8^i	2.15 (4)
Ba1—O4	3.03 (2)	Ti4—Ti4^v	2.84 (2)
Ba1—O1	3.08 (3)	Ti4—Ti4^viii	3.11 (2)
Ba1—O1^i	3.13 (3)	Ti4—Ba1^ix	3.791 (11)
Ba1—Ti4	3.511 (12)	Ti4—Sr1^ix	3.791 (11)
Sr1—O8^i	2.64 (4)	Si1—O9^x	1.63 (3)
Sr1—O6	2.65 (3)	Si1—O9	1.63 (3)
Sr1—O9^ii	2.65 (3)	Si1—O1^ii	1.65 (3)
Sr1—O11	2.80 (4)	Si1—O1^i	1.65 (3)
Sr1—O9	2.80 (3)	Si1—Sr1^ii	3.565 (5)
Sr1—OW1	2.87 (5)	Si1—Ba1^ii	3.565 (5)
Sr1—O12^i	2.88 (4)	Si1—Ba1^i	3.565 (5)
Sr1—O6^iii	2.93 (3)	Si1—Sr1^i	3.565 (5)
Sr1—O4	3.03 (2)	Si1—Sr1^x	3.627 (5)
Sr1—O1	3.08 (3)	Si1—Ba1^x	3.627 (5)
Sr1—O1^i	3.13 (3)	Si2—O2	1.60 (3)
Sr1—Ti4	3.511 (12)	Si2—O11	1.605 (16)
Ba2—O7^i	2.61 (4)	Si2—O12	1.612 (17)
Ba2—O10	2.68 (3)	Si2—O1	1.63 (3)
Ba2—O5	2.71 (4)	Si2—Sr1^vi	3.649 (14)
Ba2—O11	2.84 (4)	Si2—Ba1^vi	3.649 (14)
Ba2—O12^i	2.85 (4)	Si2—Sr2^vi	3.650 (14)
Ba2—O10^ii	2.86 (3)	Si2—Ba2^vi	3.650 (14)
Ba2—OW1	2.96 (5)	Si3—O10	1.61 (3)
Ba2—O5^iv	3.06 (3)	Si3—O10^x	1.61 (3)
Ba2—O2	3.09 (3)	Si3—O2^i	1.62 (3)
Ba2—O3	3.21 (3)	Si3—O2^ii	1.62 (3)
Ba2—O2^i	3.26 (3)	Si3—Sr2^ii	3.572 (5)
Ba2—Ti2	3.543 (12)	Si3—Ba2^ii	3.572 (5)
Sr2—O7^i	2.61 (4)	Si3—Ba2^i	3.572 (5)
Sr2—O10	2.68 (3)	Si3—Sr2^i	3.572 (5)
Sr2—O5	2.71 (4)	Si3—Ba2^x	3.618 (5)
Sr2—O11	2.84 (4)	Si3—Sr2^x	3.618 (5)
Sr2—O12^i	2.85 (4)	O1—Si1^vi	1.65 (3)
Sr2—O10^ii	2.86 (3)	O1—Ba1^vi	3.13 (3)
Sr2—OW1	2.96 (5)	O1—Sr1^vi	3.13 (3)
Sr2—O5^iv	3.06 (3)	O2—Si3^vi	1.62 (3)
Sr2—O2	3.09 (3)	O2—Ba2^vi	3.26 (3)
Sr2—O3	3.21 (3)	O2—Sr2^vi	3.26 (3)
Sr2—O2^i	3.26 (3)	O5—Ti2^v	1.77 (4)
Sr2—Ti2	3.543 (12)	O5—Ba2^iv	3.06 (3)
Ti1—O3^v	1.91 (3)	O5—Sr2^iv	3.06 (3)
Ti1—O3	1.91 (3)	O6—Ti4^v	1.83 (3)
Ti1—O11	2.015 (14)	O6—Ba1^iii	2.93 (3)
Ti1—O11^v	2.015 (14)	O6—Sr1^iii	2.93 (3)
Ti1—O4	2.02 (3)	O7—Ti2^v	1.86 (4)
Ti1—O4^v	2.02 (3)	O7—Ti2^vi	2.09 (4)
Ti1—Ti3^vi	2.9531 (11)	O7—Ba2^vi	2.61 (4)
Ti1—Ti3	2.9531 (11)	O7—Sr2^vi	2.61 (4)
Ti1—Sr1^v	3.989 (12)	O8—Ti4^v	1.91 (4)
Ti1—Ba1^v	3.989 (12)	O8—Ti4^vi	2.15 (4)
Ti2—O5^v	1.77 (4)	O8—Ba1^vi	2.64 (4)
Ti2—O7^v	1.86 (4)	O8—Sr1^vi	2.64 (4)
Ti2—O10^vii	2.00 (3)	O9—Ti4^xi	2.05 (3)
Ti2—O3	2.02 (3)	O9—Sr1^ii	2.65 (3)
Ti2—O5	2.07 (4)	O9—Ba1^ii	2.65 (3)
Ti2—O7^i	2.09 (4)	O10—Ti2^xii	2.00 (3)
Ti2—Ti2^viii	2.97 (2)	O10—Ba2^ii	2.86 (3)
Ti2—Ti2^v	3.00 (2)	O10—Sr2^ii	2.86 (3)
Ti2—Sr2^vii	3.805 (12)	O12—Ti3^vi	1.998 (13)
Ti2—Ba2^vii	3.805 (12)	O12—Sr2^vi	2.85 (4)
Ti3—O4	1.92 (3)	O12—Ba2^vi	2.85 (4)
Ti3—O4^viii	1.92 (3)	O12—Ba1^vi	2.88 (4)
Ti3—O12^i	1.998 (13)	O12—Sr1^vi	2.88 (4)
Ti3—O12^v	1.998 (13)	OW1—Sr1^ii	2.87 (5)
Ti3—O3	2.06 (3)	OW1—Ba1^ii	2.87 (5)
Ti3—O3^viii	2.06 (3)	OW1—Sr2^ii	2.96 (5)
Ti3—Ti1^i	2.9531 (11)	OW1—Ba2^ii	2.96 (5)
O8^i—Ba1—O6	68.3 (11)	O12^i—Ti3—Ba1	42.2 (13)
O8^i—Ba1—O9^ii	132.5 (11)	O12^v—Ti3—Ba1	139.0 (14)
O6—Ba1—O9^ii	90.4 (9)	O3—Ti3—Ba1	92.2 (8)
O8^i—Ba1—O11	112.5 (10)	O3^viii—Ti3—Ba1	128.1 (8)
O6—Ba1—O11	79.4 (10)	Ti1—Ti3—Ba1	67.7 (3)
O9^ii—Ba1—O11	103.8 (8)	Ti1^i—Ti3—Ba1	111.8 (4)
O8^i—Ba1—O9	92.4 (11)	Ba1^viii—Ti3—Ba1	118.2 (5)
O6—Ba1—O9	129.7 (8)	Sr1^viii—Ti3—Ba1	118.2 (5)
O9^ii—Ba1—O9	68.7 (12)	Sr1—Ti3—Ba1	0.00 (14)
O11—Ba1—O9	148.5 (9)	O6^v—Ti4—O8^v	104.2 (14)
O8^i—Ba1—OW1	142.5 (10)	O6^v—Ti4—O4	103.4 (12)
O6—Ba1—OW1	147.2 (7)	O8^v—Ti4—O4	91.3 (15)
O9^ii—Ba1—OW1	74.0 (10)	O6^v—Ti4—O9^ix	93.6 (13)
O11—Ba1—OW1	76.7 (11)	O8^v—Ti4—O9^ix	92.6 (17)
O9—Ba1—OW1	71.9 (10)	O4—Ti4—O9^ix	161.1 (12)
O8^i—Ba1—O12^i	74.7 (12)	O6^v—Ti4—O6	86.8 (11)
O6—Ba1—O12^i	115.0 (6)	O8^v—Ti4—O6	168.8 (16)
O9^ii—Ba1—O12^i	149.9 (9)	O4—Ti4—O6	88.5 (10)
O11—Ba1—O12^i	68.1 (7)	O9^ix—Ti4—O6	84.1 (12)
O9—Ba1—O12^i	102.5 (7)	O6^v—Ti4—O8^i	175.3 (15)
OW1—Ba1—O12^i	75.9 (10)	O8^v—Ti4—O8^i	79.9 (16)
O8^i—Ba1—O6^iii	73.7 (11)	O4—Ti4—O8^i	78.7 (14)
O6—Ba1—O6^iii	70.7 (9)	O9^ix—Ti4—O8^i	83.7 (15)
O9^ii—Ba1—O6^iii	59.1 (8)	O6—Ti4—O8^i	89.1 (13)
O11—Ba1—O6^iii	144.6 (10)	O6^v—Ti4—Ti4^v	47.0 (9)
O9—Ba1—O6^iii	59.2 (7)	O8^v—Ti4—Ti4^v	151.0 (13)
OW1—Ba1—O6^iii	120.7 (11)	O4—Ti4—Ti4^v	92.7 (8)
O12^i—Ba1—O6^iii	142.4 (9)	O9^ix—Ti4—Ti4^v	92.8 (10)
O8^i—Ba1—O4	55.5 (10)	O6—Ti4—Ti4^v	40.2 (8)
O6—Ba1—O4	60.4 (7)	O8^i—Ti4—Ti4^v	129.0 (12)
O9^ii—Ba1—O4	146.2 (9)	O6^v—Ti4—Ti4^viii	146.8 (10)
O11—Ba1—O4	57.0 (5)	O8^v—Ti4—Ti4^viii	42.9 (12)
O9—Ba1—O4	142.7 (8)	O4—Ti4—Ti4^viii	84.8 (8)
OW1—Ba1—O4	120.6 (11)	O9^ix—Ti4—Ti4^viii	85.5 (10)
O12^i—Ba1—O4	54.6 (6)	O6—Ti4—Ti4^viii	126.0 (10)
O6^iii—Ba1—O4	118.5 (6)	O8^i—Ti4—Ti4^viii	37.1 (10)
O8^i—Ba1—O1	142.4 (11)	Ti4^v—Ti4—Ti4^viii	166.1 (8)
O6—Ba1—O1	74.7 (9)	O6^v—Ti4—Sr1	128.8 (9)
O9^ii—Ba1—O1	52.3 (9)	O8^v—Ti4—Sr1	122.5 (13)
O11—Ba1—O1	52.1 (7)	O4—Ti4—Sr1	59.3 (7)
O9—Ba1—O1	117.1 (9)	O9^ix—Ti4—Sr1	103.5 (8)
OW1—Ba1—O1	72.9 (6)	O6—Ti4—Sr1	48.6 (8)
O12^i—Ba1—O1	116.9 (9)	O8^i—Ti4—Sr1	48.6 (11)
O6^iii—Ba1—O1	100.6 (8)	Ti4^v—Ti4—Sr1	83.7 (4)
O4—Ba1—O1	100.1 (8)	Ti4^viii—Ti4—Sr1	83.3 (4)
O8^i—Ba1—O1^i	71.9 (11)	O6^v—Ti4—Ba1	128.8 (9)
O6—Ba1—O1^i	140.2 (8)	O8^v—Ti4—Ba1	122.5 (13)
O9^ii—Ba1—O1^i	117.9 (9)	O4—Ti4—Ba1	59.3 (7)
O11—Ba1—O1^i	116.1 (10)	O9^ix—Ti4—Ba1	103.5 (8)
O9—Ba1—O1^i	52.1 (8)	O6—Ti4—Ba1	48.6 (8)
OW1—Ba1—O1^i	71.7 (6)	O8^i—Ti4—Ba1	48.6 (11)
O12^i—Ba1—O1^i	51.3 (7)	Ti4^v—Ti4—Ba1	83.7 (4)
O6^iii—Ba1—O1^i	99.1 (8)	Ti4^viii—Ti4—Ba1	83.3 (4)
O4—Ba1—O1^i	95.9 (7)	Sr1—Ti4—Ba1	0.00 (19)
O1—Ba1—O1^i	144.5 (11)	O6^v—Ti4—Ba1^ix	48.9 (9)
O8^i—Ba1—Ti4	37.7 (9)	O8^v—Ti4—Ba1^ix	92.0 (13)
O6—Ba1—Ti4	36.1 (6)	O4—Ti4—Ba1^ix	151.9 (8)
O9^ii—Ba1—Ti4	124.6 (6)	O9^ix—Ti4—Ba1^ix	46.4 (9)
O11—Ba1—Ti4	83.5 (6)	O6—Ti4—Ba1^ix	93.4 (8)
O9—Ba1—Ti4	126.6 (6)	O8^i—Ti4—Ba1^ix	129.3 (12)
OW1—Ba1—Ti4	156.0 (10)	Ti4^v—Ti4—Ba1^ix	71.6 (3)
O12^i—Ba1—Ti4	84.2 (5)	Ti4^viii—Ti4—Ba1^ix	115.8 (3)
O6^iii—Ba1—Ti4	83.3 (5)	Sr1—Ti4—Ba1^ix	137.7 (3)
O4—Ba1—Ti4	35.4 (4)	Ba1—Ti4—Ba1^ix	137.7 (3)
O1—Ba1—Ti4	105.3 (6)	O6^v—Ti4—Sr1^ix	48.9 (9)
O1^i—Ba1—Ti4	106.1 (6)	O8^v—Ti4—Sr1^ix	92.0 (13)
O8^i—Sr1—O6	68.3 (11)	O4—Ti4—Sr1^ix	151.9 (8)
O8^i—Sr1—O9^ii	132.5 (11)	O9^ix—Ti4—Sr1^ix	46.4 (9)
O6—Sr1—O9^ii	90.4 (9)	O6—Ti4—Sr1^ix	93.4 (8)
O8^i—Sr1—O11	112.5 (10)	O8^i—Ti4—Sr1^ix	129.3 (12)
O6—Sr1—O11	79.4 (10)	Ti4^v—Ti4—Sr1^ix	71.6 (3)
O9^ii—Sr1—O11	103.8 (8)	Ti4^viii—Ti4—Sr1^ix	115.8 (3)
O8^i—Sr1—O9	92.4 (11)	Sr1—Ti4—Sr1^ix	137.7 (3)
O6—Sr1—O9	129.7 (8)	Ba1—Ti4—Sr1^ix	137.7 (3)
O9^ii—Sr1—O9	68.7 (12)	Ba1^ix—Ti4—Sr1^ix	0.00 (15)
O11—Sr1—O9	148.5 (9)	O9^x—Si1—O9	121 (2)
O8^i—Sr1—OW1	142.5 (10)	O9^x—Si1—O1^ii	106.4 (15)
O6—Sr1—OW1	147.2 (7)	O9—Si1—O1^ii	102.7 (15)
O9^ii—Sr1—OW1	74.0 (10)	O9^x—Si1—O1^i	102.7 (15)
O11—Sr1—OW1	76.7 (11)	O9—Si1—O1^i	106.4 (15)
O9—Sr1—OW1	71.9 (10)	O1^ii—Si1—O1^i	119 (3)
O8^i—Sr1—O12^i	74.7 (12)	O9^x—Si1—Sr1^ii	139.1 (12)
O6—Sr1—O12^i	115.0 (6)	O9—Si1—Sr1^ii	44.1 (10)
O9^ii—Sr1—O12^i	149.9 (9)	O1^ii—Si1—Sr1^ii	59.5 (12)
O11—Sr1—O12^i	68.1 (7)	O1^i—Si1—Sr1^ii	117.9 (13)
O9—Sr1—O12^i	102.5 (7)	O9^x—Si1—Ba1^ii	139.1 (12)
OW1—Sr1—O12^i	75.9 (10)	O9—Si1—Ba1^ii	44.1 (10)
O8^i—Sr1—O6^iii	73.7 (11)	O1^ii—Si1—Ba1^ii	59.5 (12)
O6—Sr1—O6^iii	70.7 (9)	O1^i—Si1—Ba1^ii	117.9 (13)
O9^ii—Sr1—O6^iii	59.1 (8)	Sr1^ii—Si1—Ba1^ii	0.00 (13)
O11—Sr1—O6^iii	144.6 (10)	O9^x—Si1—Ba1^i	44.1 (10)
O9—Sr1—O6^iii	59.2 (7)	O9—Si1—Ba1^i	139.1 (12)
OW1—Sr1—O6^iii	120.7 (11)	O1^ii—Si1—Ba1^i	117.9 (13)
O12^i—Sr1—O6^iii	142.4 (9)	O1^i—Si1—Ba1^i	59.5 (12)
O8^i—Sr1—O4	55.5 (10)	Sr1^ii—Si1—Ba1^i	175.6 (7)
O6—Sr1—O4	60.4 (7)	Ba1^ii—Si1—Ba1^i	175.6 (7)
O9^ii—Sr1—O4	146.2 (9)	O9^x—Si1—Sr1^i	44.1 (10)
O11—Sr1—O4	57.0 (5)	O9—Si1—Sr1^i	139.1 (12)
O9—Sr1—O4	142.7 (8)	O1^ii—Si1—Sr1^i	117.9 (13)
OW1—Sr1—O4	120.6 (11)	O1^i—Si1—Sr1^i	59.5 (12)
O12^i—Sr1—O4	54.6 (6)	Sr1^ii—Si1—Sr1^i	175.6 (7)
O6^iii—Sr1—O4	118.5 (6)	Ba1^ii—Si1—Sr1^i	175.6 (7)
O8^i—Sr1—O1	142.4 (11)	Ba1^i—Si1—Sr1^i	0.00 (8)
O6—Sr1—O1	74.7 (9)	O9^x—Si1—Ba1	135.3 (11)
O9^ii—Sr1—O1	52.3 (9)	O9—Si1—Ba1	47.6 (10)
O11—Sr1—O1	52.1 (7)	O1^ii—Si1—Ba1	118.1 (13)
O9—Sr1—O1	117.1 (9)	O1^i—Si1—Ba1	59.3 (12)
OW1—Sr1—O1	72.9 (6)	Sr1^ii—Si1—Ba1	69.41 (11)
O12^i—Sr1—O1	116.9 (9)	Ba1^ii—Si1—Ba1	69.41 (11)
O6^iii—Sr1—O1	100.6 (8)	Ba1^i—Si1—Ba1	110.41 (12)
O4—Sr1—O1	100.1 (8)	Sr1^i—Si1—Ba1	110.41 (12)
O8^i—Sr1—O1^i	71.9 (11)	O9^x—Si1—Sr1	135.3 (11)
O6—Sr1—O1^i	140.2 (8)	O9—Si1—Sr1	47.6 (10)
O9^ii—Sr1—O1^i	117.9 (9)	O1^ii—Si1—Sr1	118.1 (13)
O11—Sr1—O1^i	116.1 (10)	O1^i—Si1—Sr1	59.3 (12)
O9—Sr1—O1^i	52.1 (8)	Sr1^ii—Si1—Sr1	69.41 (11)
OW1—Sr1—O1^i	71.7 (6)	Ba1^ii—Si1—Sr1	69.41 (11)
O12^i—Sr1—O1^i	51.3 (7)	Ba1^i—Si1—Sr1	110.41 (12)
O6^iii—Sr1—O1^i	99.1 (8)	Sr1^i—Si1—Sr1	110.41 (12)
O4—Sr1—O1^i	95.9 (7)	Ba1—Si1—Sr1	0.00 (9)
O1—Sr1—O1^i	144.5 (11)	O9^x—Si1—Sr1^x	47.6 (10)
O8^i—Sr1—Ti4	37.7 (9)	O9—Si1—Sr1^x	135.3 (11)
O6—Sr1—Ti4	36.1 (6)	O1^ii—Si1—Sr1^x	59.3 (12)
O9^ii—Sr1—Ti4	124.6 (6)	O1^i—Si1—Sr1^x	118.1 (13)
O11—Sr1—Ti4	83.5 (6)	Sr1^ii—Si1—Sr1^x	110.41 (12)
O9—Sr1—Ti4	126.6 (6)	Ba1^ii—Si1—Sr1^x	110.41 (12)
OW1—Sr1—Ti4	156.0 (10)	Ba1^i—Si1—Sr1^x	69.41 (11)
O12^i—Sr1—Ti4	84.2 (5)	Sr1^i—Si1—Sr1^x	69.41 (11)
O6^iii—Sr1—Ti4	83.3 (5)	Ba1—Si1—Sr1^x	175.6 (7)
O4—Sr1—Ti4	35.4 (4)	Sr1—Si1—Sr1^x	175.6 (7)
O1—Sr1—Ti4	105.3 (6)	O9^x—Si1—Ba1^x	47.6 (10)
O1^i—Sr1—Ti4	106.1 (6)	O9—Si1—Ba1^x	135.3 (11)
O7^i—Ba2—O10	89.2 (10)	O1^ii—Si1—Ba1^x	59.3 (12)
O7^i—Ba2—O5	66.8 (12)	O1^i—Si1—Ba1^x	118.1 (13)
O10—Ba2—O5	130.9 (9)	Sr1^ii—Si1—Ba1^x	110.41 (12)
O7^i—Ba2—O11	112.3 (10)	Ba1^ii—Si1—Ba1^x	110.41 (12)
O10—Ba2—O11	151.2 (9)	Ba1^i—Si1—Ba1^x	69.41 (11)
O5—Ba2—O11	76.9 (11)	Sr1^i—Si1—Ba1^x	69.41 (11)
O7^i—Ba2—O12^i	75.1 (12)	Ba1—Si1—Ba1^x	175.6 (7)
O10—Ba2—O12^i	101.6 (7)	Sr1—Si1—Ba1^x	175.6 (7)
O5—Ba2—O12^i	111.6 (8)	Sr1^x—Si1—Ba1^x	0.00 (8)
O11—Ba2—O12^i	68.0 (7)	O2—Si2—O11	108 (2)
O7^i—Ba2—O10^ii	132.6 (10)	O2—Si2—O12	111 (2)
O10—Ba2—O10^ii	69.9 (11)	O11—Si2—O12	116.0 (7)
O5—Ba2—O10^ii	94.9 (9)	O2—Si2—O1	106.8 (11)
O11—Ba2—O10^ii	104.6 (7)	O11—Si2—O1	107 (2)
O12^i—Ba2—O10^ii	149.0 (8)	O12—Si2—O1	107 (2)
O7^i—Ba2—OW1	143.3 (9)	O2—Si2—Sr1	111.4 (12)
O10—Ba2—OW1	76.6 (9)	O11—Si2—Sr1	48.7 (17)
O5—Ba2—OW1	145.5 (9)	O12—Si2—Sr1	137.2 (18)
O11—Ba2—OW1	74.7 (10)	O1—Si2—Sr1	58.9 (13)
O12^i—Ba2—OW1	75.0 (10)	O2—Si2—Ba1	111.4 (12)
O10^ii—Ba2—OW1	74.0 (9)	O11—Si2—Ba1	48.7 (17)
O7^i—Ba2—O5^iv	75.0 (11)	O12—Si2—Ba1	137.2 (18)
O10—Ba2—O5^iv	56.2 (8)	O1—Si2—Ba1	58.9 (13)
O5—Ba2—O5^iv	75.9 (11)	Sr1—Si2—Ba1	0.00 (18)
O11—Ba2—O5^iv	145.8 (11)	O2—Si2—Ba2	58.8 (12)
O12^i—Ba2—O5^iv	142.6 (11)	O11—Si2—Ba2	49.6 (17)
O10^ii—Ba2—O5^iv	57.9 (8)	O12—Si2—Ba2	135.6 (18)
OW1—Ba2—O5^iv	120.4 (11)	O1—Si2—Ba2	117.1 (12)
O7^i—Ba2—O2	145.3 (11)	Sr1—Si2—Ba2	70.77 (13)
O10—Ba2—O2	118.7 (9)	Ba1—Si2—Ba2	70.77 (13)
O5—Ba2—O2	78.8 (10)	O2—Si2—Sr2	58.8 (12)
O11—Ba2—O2	51.8 (7)	O11—Si2—Sr2	49.6 (17)
O12^i—Ba2—O2	115.0 (9)	O12—Si2—Sr2	135.6 (18)
O10^ii—Ba2—O2	53.1 (8)	O1—Si2—Sr2	117.1 (12)
OW1—Ba2—O2	68.3 (5)	Sr1—Si2—Sr2	70.77 (13)
O5^iv—Ba2—O2	102.4 (9)	Ba1—Si2—Sr2	70.77 (13)
O7^i—Ba2—O3	57.0 (10)	Ba2—Si2—Sr2	0.00 (16)
O10—Ba2—O3	142.5 (8)	O2—Si2—Sr1^vi	114.7 (11)
O5—Ba2—O3	54.4 (9)	O11—Si2—Sr1^vi	137 (2)
O11—Ba2—O3	55.3 (6)	O12—Si2—Sr1^vi	49.6 (15)
O12^i—Ba2—O3	57.2 (6)	O1—Si2—Sr1^vi	58.6 (13)
O10^ii—Ba2—O3	144.4 (8)	Sr1—Si2—Sr1^vi	109.5 (5)
OW1—Ba2—O3	119.6 (11)	Ba1—Si2—Sr1^vi	109.5 (5)
O5^iv—Ba2—O3	120.1 (8)	Ba2—Si2—Sr1^vi	171.95 (17)
O2—Ba2—O3	98.8 (7)	Sr2—Si2—Sr1^vi	171.95 (17)
O7^i—Ba2—O2^i	76.4 (10)	O2—Si2—Ba1^vi	114.7 (11)
O10—Ba2—O2^i	50.6 (8)	O11—Si2—Ba1^vi	137 (2)
O5—Ba2—O2^i	142.9 (9)	O12—Si2—Ba1^vi	49.6 (15)
O11—Ba2—O2^i	114.1 (9)	O1—Si2—Ba1^vi	58.6 (13)
O12^i—Ba2—O2^i	51.0 (6)	Sr1—Si2—Ba1^vi	109.5 (5)
O10^ii—Ba2—O2^i	114.5 (8)	Ba1—Si2—Ba1^vi	109.5 (5)
OW1—Ba2—O2^i	68.5 (5)	Ba2—Si2—Ba1^vi	171.95 (17)
O5^iv—Ba2—O2^i	100.1 (9)	Sr2—Si2—Ba1^vi	171.95 (17)
O2—Ba2—O2^i	136.8 (9)	Sr1^vi—Si2—Ba1^vi	0.00 (10)
O3—Ba2—O2^i	101.1 (7)	O2—Si2—Sr2^vi	63.3 (12)
O7^i—Ba2—Ti2	35.7 (8)	O11—Si2—Sr2^vi	137 (2)
O10—Ba2—Ti2	122.2 (6)	O12—Si2—Sr2^vi	48.5 (15)
O5—Ba2—Ti2	35.6 (8)	O1—Si2—Sr2^vi	115.8 (12)
O11—Ba2—Ti2	84.2 (6)	Sr1—Si2—Sr2^vi	171.96 (16)
O12^i—Ba2—Ti2	83.0 (6)	Ba1—Si2—Sr2^vi	171.96 (16)
O10^ii—Ba2—Ti2	127.3 (6)	Ba2—Si2—Sr2^vi	109.1 (5)
OW1—Ba2—Ti2	153.9 (10)	Sr2—Si2—Sr2^vi	109.1 (5)
O5^iv—Ba2—Ti2	85.7 (6)	Sr1^vi—Si2—Sr2^vi	69.50 (12)
O2—Ba2—Ti2	110.1 (6)	Ba1^vi—Si2—Sr2^vi	69.50 (12)
O3—Ba2—Ti2	34.4 (5)	O2—Si2—Ba2^vi	63.3 (12)
O2^i—Ba2—Ti2	107.9 (6)	O11—Si2—Ba2^vi	137 (2)
O7^i—Sr2—O10	89.2 (10)	O12—Si2—Ba2^vi	48.5 (15)
O7^i—Sr2—O5	66.8 (12)	O1—Si2—Ba2^vi	115.8 (12)
O10—Sr2—O5	130.9 (9)	Sr1—Si2—Ba2^vi	171.96 (16)
O7^i—Sr2—O11	112.3 (10)	Ba1—Si2—Ba2^vi	171.96 (16)
O10—Sr2—O11	151.2 (9)	Ba2—Si2—Ba2^vi	109.1 (5)
O5—Sr2—O11	76.9 (11)	Sr2—Si2—Ba2^vi	109.1 (5)
O7^i—Sr2—O12^i	75.1 (12)	Sr1^vi—Si2—Ba2^vi	69.50 (12)
O10—Sr2—O12^i	101.6 (7)	Ba1^vi—Si2—Ba2^vi	69.50 (12)
O5—Sr2—O12^i	111.6 (8)	Sr2^vi—Si2—Ba2^vi	0.00 (11)
O11—Sr2—O12^i	68.0 (7)	O10—Si3—O10^x	118 (2)
O7^i—Sr2—O10^ii	132.6 (10)	O10—Si3—O2^i	106.6 (14)
O10—Sr2—O10^ii	69.9 (11)	O10^x—Si3—O2^i	111.2 (15)
O5—Sr2—O10^ii	94.9 (9)	O10—Si3—O2^ii	111.2 (15)
O11—Sr2—O10^ii	104.6 (7)	O10^x—Si3—O2^ii	106.6 (14)
O12^i—Sr2—O10^ii	149.0 (8)	O2^i—Si3—O2^ii	102 (2)
O7^i—Sr2—OW1	143.3 (9)	O10—Si3—Sr2^ii	51.4 (9)
O10—Sr2—OW1	76.6 (9)	O10^x—Si3—Sr2^ii	131.8 (11)
O5—Sr2—OW1	145.5 (9)	O2^i—Si3—Sr2^ii	116.8 (12)
O11—Sr2—OW1	74.7 (10)	O2^ii—Si3—Sr2^ii	59.8 (11)
O12^i—Sr2—OW1	75.0 (10)	O10—Si3—Ba2^ii	51.4 (9)
O10^ii—Sr2—OW1	74.0 (9)	O10^x—Si3—Ba2^ii	131.8 (11)
O7^i—Sr2—O5^iv	75.0 (11)	O2^i—Si3—Ba2^ii	116.8 (12)
O10—Sr2—O5^iv	56.2 (8)	O2^ii—Si3—Ba2^ii	59.8 (11)
O5—Sr2—O5^iv	75.9 (11)	Sr2^ii—Si3—Ba2^ii	0.0 (2)
O11—Sr2—O5^iv	145.8 (11)	O10—Si3—Ba2^i	131.8 (11)
O12^i—Sr2—O5^iv	142.6 (11)	O10^x—Si3—Ba2^i	51.4 (9)
O10^ii—Sr2—O5^iv	57.9 (8)	O2^i—Si3—Ba2^i	59.8 (11)
OW1—Sr2—O5^iv	120.4 (11)	O2^ii—Si3—Ba2^i	116.8 (12)
O7^i—Sr2—O2	145.3 (11)	Sr2^ii—Si3—Ba2^i	175.3 (8)
O10—Sr2—O2	118.7 (9)	Ba2^ii—Si3—Ba2^i	175.3 (8)
O5—Sr2—O2	78.8 (10)	O10—Si3—Sr2^i	131.8 (11)
O11—Sr2—O2	51.8 (7)	O10^x—Si3—Sr2^i	51.4 (9)
O12^i—Sr2—O2	115.0 (9)	O2^i—Si3—Sr2^i	59.8 (11)
O10^ii—Sr2—O2	53.1 (8)	O2^ii—Si3—Sr2^i	116.8 (12)
OW1—Sr2—O2	68.3 (5)	Sr2^ii—Si3—Sr2^i	175.3 (8)
O5^iv—Sr2—O2	102.4 (9)	Ba2^ii—Si3—Sr2^i	175.3 (8)
O7^i—Sr2—O3	57.0 (10)	Ba2^i—Si3—Sr2^i	0.00 (17)
O10—Sr2—O3	142.5 (8)	O10—Si3—Ba2^x	140.7 (12)
O5—Sr2—O3	54.4 (9)	O10^x—Si3—Ba2^x	43.0 (9)
O11—Sr2—O3	55.3 (6)	O2^i—Si3—Ba2^x	112.5 (12)
O12^i—Sr2—O3	57.2 (6)	O2^ii—Si3—Ba2^x	64.3 (11)
O10^ii—Sr2—O3	144.4 (8)	Sr2^ii—Si3—Ba2^x	110.44 (13)
OW1—Sr2—O3	119.6 (11)	Ba2^ii—Si3—Ba2^x	110.44 (13)
O5^iv—Sr2—O3	120.1 (8)	Ba2^i—Si3—Ba2^x	69.35 (13)
O2—Sr2—O3	98.8 (7)	Sr2^i—Si3—Ba2^x	69.35 (13)
O7^i—Sr2—O2^i	76.4 (10)	O10—Si3—Sr2^x	140.7 (12)
O10—Sr2—O2^i	50.6 (8)	O10^x—Si3—Sr2^x	43.0 (9)
O5—Sr2—O2^i	142.9 (9)	O2^i—Si3—Sr2^x	112.5 (12)
O11—Sr2—O2^i	114.1 (9)	O2^ii—Si3—Sr2^x	64.3 (11)
O12^i—Sr2—O2^i	51.0 (6)	Sr2^ii—Si3—Sr2^x	110.44 (13)
O10^ii—Sr2—O2^i	114.5 (8)	Ba2^ii—Si3—Sr2^x	110.44 (13)
OW1—Sr2—O2^i	68.5 (5)	Ba2^i—Si3—Sr2^x	69.35 (13)
O5^iv—Sr2—O2^i	100.1 (9)	Sr2^i—Si3—Sr2^x	69.35 (13)
O2—Sr2—O2^i	136.8 (9)	Ba2^x—Si3—Sr2^x	0.00 (16)
O3—Sr2—O2^i	101.1 (7)	O10—Si3—Sr2	43.0 (9)
O7^i—Sr2—Ti2	35.7 (8)	O10^x—Si3—Sr2	140.7 (12)
O10—Sr2—Ti2	122.2 (6)	O2^i—Si3—Sr2	64.3 (11)
O5—Sr2—Ti2	35.6 (8)	O2^ii—Si3—Sr2	112.5 (12)
O11—Sr2—Ti2	84.2 (6)	Sr2^ii—Si3—Sr2	69.35 (13)
O12^i—Sr2—Ti2	83.0 (6)	Ba2^ii—Si3—Sr2	69.35 (13)
O10^ii—Sr2—Ti2	127.3 (6)	Ba2^i—Si3—Sr2	110.44 (13)
OW1—Sr2—Ti2	153.9 (10)	Sr2^i—Si3—Sr2	110.44 (13)
O5^iv—Sr2—Ti2	85.7 (6)	Ba2^x—Si3—Sr2	175.3 (7)
O2—Sr2—Ti2	110.1 (6)	Sr2^x—Si3—Sr2	175.3 (7)
O3—Sr2—Ti2	34.4 (5)	O10—Si3—Ba2	43.0 (9)
O2^i—Sr2—Ti2	107.9 (6)	O10^x—Si3—Ba2	140.7 (12)
O3^v—Ti1—O3	91.4 (19)	O2^i—Si3—Ba2	64.3 (11)
O3^v—Ti1—O11	87.5 (16)	O2^ii—Si3—Ba2	112.5 (12)
O3—Ti1—O11	92.0 (16)	Sr2^ii—Si3—Ba2	69.35 (13)
O3^v—Ti1—O11^v	92.0 (16)	Ba2^ii—Si3—Ba2	69.35 (13)
O3—Ti1—O11^v	87.5 (16)	Ba2^i—Si3—Ba2	110.44 (13)
O11—Ti1—O11^v	179 (4)	Sr2^i—Si3—Ba2	110.44 (13)
O3^v—Ti1—O4	172.9 (15)	Ba2^x—Si3—Ba2	175.3 (7)
O3—Ti1—O4	83.7 (6)	Sr2^x—Si3—Ba2	175.3 (7)
O11—Ti1—O4	87.5 (13)	Sr2—Si3—Ba2	0.00 (17)
O11^v—Ti1—O4	93.0 (14)	Si2—O1—Si1^vi	154 (2)
O3^v—Ti1—O4^v	83.7 (6)	Si2—O1—Sr1	94.1 (14)
O3—Ti1—O4^v	172.9 (15)	Si1^vi—O1—Sr1	93.0 (14)
O11—Ti1—O4^v	93.0 (14)	Si2—O1—Ba1	94.1 (14)
O11^v—Ti1—O4^v	87.5 (13)	Si1^vi—O1—Ba1	93.0 (14)
O4—Ti1—O4^v	101.5 (16)	Sr1—O1—Ba1	0.0 (2)
O3^v—Ti1—Ti3^vi	43.8 (9)	Si2—O1—Ba1^vi	95.0 (14)
O3—Ti1—Ti3^vi	135.2 (14)	Si1^vi—O1—Ba1^vi	93.8 (14)
O11—Ti1—Ti3^vi	86.9 (5)	Sr1—O1—Ba1^vi	144.5 (11)
O11^v—Ti1—Ti3^vi	93.1 (5)	Ba1—O1—Ba1^vi	144.5 (11)
O4—Ti1—Ti3^vi	140.8 (13)	Si2—O1—Sr1^vi	95.0 (14)
O4^v—Ti1—Ti3^vi	40.2 (8)	Si1^vi—O1—Sr1^vi	93.8 (14)
O3^v—Ti1—Ti3	135.2 (14)	Sr1—O1—Sr1^vi	144.5 (11)
O3—Ti1—Ti3	43.8 (9)	Ba1—O1—Sr1^vi	144.5 (11)
O11—Ti1—Ti3	93.1 (5)	Ba1^vi—O1—Sr1^vi	0.0 (2)
O11^v—Ti1—Ti3	86.9 (5)	Si2—O2—Si3^vi	168 (2)
O4—Ti1—Ti3	40.2 (8)	Si2—O2—Sr2	94.8 (13)
O4^v—Ti1—Ti3	140.8 (13)	Si3^vi—O2—Sr2	93.3 (13)
Ti3^vi—Ti1—Ti3	179.0 (14)	Si2—O2—Ba2	94.8 (13)
O3^v—Ti1—Sr1^v	95.7 (9)	Si3^vi—O2—Ba2	93.3 (13)
O3—Ti1—Sr1^v	128.0 (9)	Sr2—O2—Ba2	0.00 (18)
O11—Ti1—Sr1^v	139.6 (15)	Si2—O2—Ba2^vi	90.7 (13)
O11^v—Ti1—Sr1^v	41.0 (14)	Si3^vi—O2—Ba2^vi	89.1 (12)
O4—Ti1—Sr1^v	91.3 (9)	Sr2—O2—Ba2^vi	136.8 (9)
O4^v—Ti1—Sr1^v	47.8 (7)	Ba2—O2—Ba2^vi	136.8 (9)
Ti3^vi—Ti1—Sr1^v	69.1 (3)	Si2—O2—Sr2^vi	90.7 (13)
Ti3—Ti1—Sr1^v	111.4 (4)	Si3^vi—O2—Sr2^vi	89.1 (12)
O3^v—Ti1—Ba1^v	95.7 (9)	Sr2—O2—Sr2^vi	136.8 (9)
O3—Ti1—Ba1^v	128.0 (9)	Ba2—O2—Sr2^vi	136.8 (9)
O11—Ti1—Ba1^v	139.6 (15)	Ba2^vi—O2—Sr2^vi	0.0 (2)
O11^v—Ti1—Ba1^v	41.0 (14)	Ti1—O3—Ti2	137.3 (16)
O4—Ti1—Ba1^v	91.3 (9)	Ti1—O3—Ti3	96.2 (12)
O4^v—Ti1—Ba1^v	47.8 (7)	Ti2—O3—Ti3	125.9 (15)
Ti3^vi—Ti1—Ba1^v	69.1 (3)	Ti1—O3—Ba2	100.8 (11)
Ti3—Ti1—Ba1^v	111.4 (4)	Ti2—O3—Ba2	81.9 (9)
Sr1^v—Ti1—Ba1^v	0.00 (13)	Ti3—O3—Ba2	97.8 (11)
O3^v—Ti1—Sr1	128.0 (9)	Ti1—O3—Sr2	100.8 (11)
O3—Ti1—Sr1	95.7 (9)	Ti2—O3—Sr2	81.9 (9)
O11—Ti1—Sr1	41.0 (14)	Ti3—O3—Sr2	97.8 (11)
O11^v—Ti1—Sr1	139.6 (15)	Ba2—O3—Sr2	0.0 (2)
O4—Ti1—Sr1	47.8 (7)	Ti3—O4—Ti1	97.2 (11)
O4^v—Ti1—Sr1	91.3 (9)	Ti3—O4—Ti4	134.4 (13)
Ti3^vi—Ti1—Sr1	111.4 (4)	Ti1—O4—Ti4	123.4 (14)
Ti3—Ti1—Sr1	69.1 (3)	Ti3—O4—Sr1	106.9 (10)
Sr1^v—Ti1—Sr1	118.3 (6)	Ti1—O4—Sr1	102.7 (8)
Ba1^v—Ti1—Sr1	118.3 (6)	Ti4—O4—Sr1	85.3 (8)
O3^v—Ti1—Ba1	128.0 (9)	Ti3—O4—Ba1	106.9 (10)
O3—Ti1—Ba1	95.7 (9)	Ti1—O4—Ba1	102.7 (8)
O11—Ti1—Ba1	41.0 (14)	Ti4—O4—Ba1	85.3 (8)
O11^v—Ti1—Ba1	139.6 (15)	Sr1—O4—Ba1	0.00 (16)
O4—Ti1—Ba1	47.8 (7)	Ti2^v—O5—Ti2	102.7 (15)
O4^v—Ti1—Ba1	91.3 (9)	Ti2^v—O5—Ba2	146.5 (18)
Ti3^vi—Ti1—Ba1	111.4 (4)	Ti2—O5—Ba2	94.7 (14)
Ti3—Ti1—Ba1	69.1 (3)	Ti2^v—O5—Sr2	146.5 (18)
Sr1^v—Ti1—Ba1	118.3 (6)	Ti2—O5—Sr2	94.7 (14)
Ba1^v—Ti1—Ba1	118.3 (6)	Ba2—O5—Sr2	0.0 (2)
Sr1—Ti1—Ba1	0.00 (16)	Ti2^v—O5—Ba2^iv	100.5 (15)
O5^v—Ti2—O7^v	110.1 (15)	Ti2—O5—Ba2^iv	101.0 (13)
O5^v—Ti2—O10^vii	92.4 (14)	Ba2—O5—Ba2^iv	104.1 (11)
O7^v—Ti2—O10^vii	89.9 (16)	Sr2—O5—Ba2^iv	104.1 (11)
O5^v—Ti2—O3	91.6 (15)	Ti2^v—O5—Sr2^iv	100.5 (15)
O7^v—Ti2—O3	95.3 (16)	Ti2—O5—Sr2^iv	101.0 (13)
O10^vii—Ti2—O3	171.9 (13)	Ba2—O5—Sr2^iv	104.1 (11)
O5^v—Ti2—O5	77.3 (15)	Sr2—O5—Sr2^iv	104.1 (11)
O7^v—Ti2—O5	172.6 (17)	Ba2^iv—O5—Sr2^iv	0.0 (2)
O10^vii—Ti2—O5	89.8 (13)	Ti4^v—O6—Ti4	92.8 (11)
O3—Ti2—O5	84.2 (13)	Ti4^v—O6—Ba1	143.9 (14)
O5^v—Ti2—O7^i	167.2 (17)	Ti4—O6—Ba1	95.3 (11)
O7^v—Ti2—O7^i	82.7 (16)	Ti4^v—O6—Sr1	143.9 (14)
O10^vii—Ti2—O7^i	87.5 (15)	Ti4—O6—Sr1	95.3 (11)
O3—Ti2—O7^i	87.0 (15)	Ba1—O6—Sr1	0.0 (2)
O5—Ti2—O7^i	89.8 (15)	Ti4^v—O6—Ba1^iii	103.0 (11)
O5^v—Ti2—Ti2^viii	154.3 (12)	Ti4—O6—Ba1^iii	102.9 (10)
O7^v—Ti2—Ti2^viii	44.2 (12)	Ba1—O6—Ba1^iii	109.3 (9)
O10^vii—Ti2—Ti2^viii	87.0 (10)	Sr1—O6—Ba1^iii	109.3 (9)
O3—Ti2—Ti2^viii	92.4 (9)	Ti4^v—O6—Sr1^iii	103.0 (11)
O5—Ti2—Ti2^viii	128.3 (12)	Ti4—O6—Sr1^iii	102.9 (10)
O7^i—Ti2—Ti2^viii	38.5 (10)	Ba1—O6—Sr1^iii	109.3 (9)
O5^v—Ti2—Ti2^v	42.2 (11)	Sr1—O6—Sr1^iii	109.3 (9)
O7^v—Ti2—Ti2^v	152.3 (13)	Ba1^iii—O6—Sr1^iii	0.00 (17)
O10^vii—Ti2—Ti2^v	92.4 (10)	Ti2^v—O7—Ti2^vi	97.3 (16)
O3—Ti2—Ti2^v	85.8 (9)	Ti2^v—O7—Ba2^vi	150 (2)
O5—Ti2—Ti2^v	35.1 (10)	Ti2^vi—O7—Ba2^vi	97.3 (15)
O7^i—Ti2—Ti2^v	124.9 (12)	Ti2^v—O7—Sr2^vi	150 (2)
Ti2^viii—Ti2—Ti2^v	163.4 (8)	Ti2^vi—O7—Sr2^vi	97.3 (15)
O5^v—Ti2—Sr2	121.5 (11)	Ba2^vi—O7—Sr2^vi	0.0 (2)
O7^v—Ti2—Sr2	123.5 (13)	Ti4^v—O8—Ti4^vi	100.0 (16)
O10^vii—Ti2—Sr2	108.2 (8)	Ti4^v—O8—Ba1^vi	152 (2)
O3—Ti2—Sr2	63.7 (9)	Ti4^vi—O8—Ba1^vi	93.7 (15)
O5—Ti2—Sr2	49.7 (10)	Ti4^v—O8—Sr1^vi	152 (2)
O7^i—Ti2—Sr2	46.9 (11)	Ti4^vi—O8—Sr1^vi	93.7 (15)
Ti2^viii—Ti2—Sr2	82.8 (4)	Ba1^vi—O8—Sr1^vi	0.0 (2)
Ti2^v—Ti2—Sr2	81.7 (4)	Si1—O9—Ti4^xi	122.5 (19)
O5^v—Ti2—Ba2	121.5 (11)	Si1—O9—Sr1^ii	110.6 (13)
O7^v—Ti2—Ba2	123.5 (13)	Ti4^xi—O9—Sr1^ii	113.9 (13)
O10^vii—Ti2—Ba2	108.2 (8)	Si1—O9—Ba1^ii	110.6 (13)
O3—Ti2—Ba2	63.7 (9)	Ti4^xi—O9—Ba1^ii	113.9 (13)
O5—Ti2—Ba2	49.7 (10)	Sr1^ii—O9—Ba1^ii	0.00 (15)
O7^i—Ti2—Ba2	46.9 (11)	Si1—O9—Sr1	107.0 (13)
Ti2^viii—Ti2—Ba2	82.8 (4)	Ti4^xi—O9—Sr1	101.7 (11)
Ti2^v—Ti2—Ba2	81.7 (4)	Sr1^ii—O9—Sr1	97.3 (10)
Sr2—Ti2—Ba2	0.00 (15)	Ba1^ii—O9—Sr1	97.3 (10)
O5^v—Ti2—Sr2^vii	52.3 (11)	Si1—O9—Ba1	107.0 (13)
O7^v—Ti2—Sr2^vii	93.1 (13)	Ti4^xi—O9—Ba1	101.7 (11)
O10^vii—Ti2—Sr2^vii	41.9 (8)	Sr1^ii—O9—Ba1	97.3 (10)
O3—Ti2—Sr2^vii	143.4 (10)	Ba1^ii—O9—Ba1	97.3 (10)
O5—Ti2—Sr2^vii	91.7 (10)	Sr1—O9—Ba1	0.00 (18)
O7^i—Ti2—Sr2^vii	129.4 (12)	Si3—O10—Ti2^xii	124.0 (19)
Ti2^viii—Ti2—Sr2^vii	117.6 (3)	Si3—O10—Sr2	112.7 (13)
Ti2^v—Ti2—Sr2^vii	71.0 (3)	Ti2^xii—O10—Sr2	108.2 (11)
Sr2—Ti2—Sr2^vii	135.8 (3)	Si3—O10—Ba2	112.7 (13)
Ba2—Ti2—Sr2^vii	135.8 (3)	Ti2^xii—O10—Ba2	108.2 (11)
O5^v—Ti2—Ba2^vii	52.3 (11)	Sr2—O10—Ba2	0.0 (2)
O7^v—Ti2—Ba2^vii	93.1 (13)	Si3—O10—Ba2^ii	102.5 (12)
O10^vii—Ti2—Ba2^vii	41.9 (8)	Ti2^xii—O10—Ba2^ii	110.1 (12)
O3—Ti2—Ba2^vii	143.4 (10)	Sr2—O10—Ba2^ii	95.3 (9)
O5—Ti2—Ba2^vii	91.7 (10)	Ba2—O10—Ba2^ii	95.3 (9)
O7^i—Ti2—Ba2^vii	129.4 (12)	Si3—O10—Sr2^ii	102.5 (12)
Ti2^viii—Ti2—Ba2^vii	117.6 (3)	Ti2^xii—O10—Sr2^ii	110.1 (12)
Ti2^v—Ti2—Ba2^vii	71.0 (3)	Sr2—O10—Sr2^ii	95.3 (9)
Sr2—Ti2—Ba2^vii	135.8 (3)	Ba2—O10—Sr2^ii	95.3 (9)
Ba2—Ti2—Ba2^vii	135.8 (3)	Ba2^ii—O10—Sr2^ii	0.0 (2)
Sr2^vii—Ti2—Ba2^vii	0.00 (8)	Si2—O11—Ti1	124.8 (9)
O4—Ti3—O4^viii	94.8 (16)	Si2—O11—Ba1	106 (2)
O4—Ti3—O12^i	87.6 (14)	Ti1—O11—Ba1	110.8 (18)
O4^viii—Ti3—O12^i	93.5 (14)	Si2—O11—Sr1	106 (2)
O4—Ti3—O12^v	93.5 (14)	Ti1—O11—Sr1	110.8 (18)
O4^viii—Ti3—O12^v	87.6 (14)	Ba1—O11—Sr1	0.0 (2)
O12^i—Ti3—O12^v	178 (3)	Si2—O11—Ba2	105 (2)
O4—Ti3—O3	82.4 (6)	Ti1—O11—Ba2	111.2 (18)
O4^viii—Ti3—O3	173.6 (14)	Ba1—O11—Ba2	95.2 (5)
O12^i—Ti3—O3	92.1 (14)	Sr1—O11—Ba2	95.2 (5)
O12^v—Ti3—O3	86.9 (14)	Si2—O11—Sr2	105 (2)
O4—Ti3—O3^viii	173.6 (14)	Ti1—O11—Sr2	111.2 (18)
O4^viii—Ti3—O3^viii	82.4 (6)	Ba1—O11—Sr2	95.2 (5)
O12^i—Ti3—O3^viii	86.9 (14)	Sr1—O11—Sr2	95.2 (5)
O12^v—Ti3—O3^viii	92.1 (14)	Ba2—O11—Sr2	0.0 (2)
O3—Ti3—O3^viii	100.9 (17)	Si2—O12—Ti3^vi	125.6 (9)
O4—Ti3—Ti1	42.6 (8)	Si2—O12—Sr2^vi	106.4 (18)
O4^viii—Ti3—Ti1	136.4 (13)	Ti3^vi—O12—Sr2^vi	111.5 (16)
O12^i—Ti3—Ti1	93.4 (5)	Si2—O12—Ba2^vi	106.4 (18)
O12^v—Ti3—Ti1	86.7 (5)	Ti3^vi—O12—Ba2^vi	111.5 (16)
O3—Ti3—Ti1	40.0 (9)	Sr2^vi—O12—Ba2^vi	0.0 (2)
O3^viii—Ti3—Ti1	141.0 (13)	Si2—O12—Ba1^vi	105.1 (18)
O4—Ti3—Ti1^i	136.4 (13)	Ti3^vi—O12—Ba1^vi	110.1 (17)
O4^viii—Ti3—Ti1^i	42.6 (8)	Sr2^vi—O12—Ba1^vi	93.1 (4)
O12^i—Ti3—Ti1^i	86.7 (5)	Ba2^vi—O12—Ba1^vi	93.1 (4)
O12^v—Ti3—Ti1^i	93.4 (5)	Si2—O12—Sr1^vi	105.1 (18)
O3—Ti3—Ti1^i	141.0 (13)	Ti3^vi—O12—Sr1^vi	110.1 (17)
O3^viii—Ti3—Ti1^i	40.0 (9)	Sr2^vi—O12—Sr1^vi	93.1 (4)
Ti1—Ti3—Ti1^i	179.0 (14)	Ba2^vi—O12—Sr1^vi	93.1 (4)
O4—Ti3—Ba1^viii	89.9 (8)	Ba1^vi—O12—Sr1^vi	0.0 (2)
O4^viii—Ti3—Ba1^viii	46.0 (7)	Sr1—OW1—Ba1	0.00 (17)
O12^i—Ti3—Ba1^viii	139.0 (14)	Sr1—OW1—Sr1^ii	91 (2)
O12^v—Ti3—Ba1^viii	42.2 (13)	Ba1—OW1—Sr1^ii	91 (2)
O3—Ti3—Ba1^viii	128.1 (8)	Sr1—OW1—Ba1^ii	91 (2)
O3^viii—Ti3—Ba1^viii	92.2 (8)	Ba1—OW1—Ba1^ii	91 (2)
Ti1—Ti3—Ba1^viii	111.8 (4)	Sr1^ii—OW1—Ba1^ii	0.0 (2)
Ti1^i—Ti3—Ba1^viii	67.7 (3)	Sr1—OW1—Sr2^ii	178.2 (19)
O4—Ti3—Sr1^viii	89.9 (8)	Ba1—OW1—Sr2^ii	178.2 (19)
O4^viii—Ti3—Sr1^viii	46.0 (7)	Sr1^ii—OW1—Sr2^ii	90.91 (8)
O12^i—Ti3—Sr1^viii	139.0 (14)	Ba1^ii—OW1—Sr2^ii	90.91 (8)
O12^v—Ti3—Sr1^viii	42.2 (13)	Sr1—OW1—Ba2^ii	178.2 (19)
O3—Ti3—Sr1^viii	128.1 (8)	Ba1—OW1—Ba2^ii	178.2 (19)
O3^viii—Ti3—Sr1^viii	92.2 (8)	Sr1^ii—OW1—Ba2^ii	90.91 (8)
Ti1—Ti3—Sr1^viii	111.8 (4)	Ba1^ii—OW1—Ba2^ii	90.91 (8)
Ti1^i—Ti3—Sr1^viii	67.7 (3)	Sr2^ii—OW1—Ba2^ii	0.0 (2)
Ba1^viii—Ti3—Sr1^viii	0.00 (9)	Sr1—OW1—Sr2	90.91 (8)
O4—Ti3—Sr1	46.0 (7)	Ba1—OW1—Sr2	90.91 (8)
O4^viii—Ti3—Sr1	89.9 (8)	Sr1^ii—OW1—Sr2	178.2 (19)
O12^i—Ti3—Sr1	42.2 (13)	Ba1^ii—OW1—Sr2	178.2 (19)
O12^v—Ti3—Sr1	139.0 (14)	Sr2^ii—OW1—Sr2	87.3 (19)
O3—Ti3—Sr1	92.2 (8)	Ba2^ii—OW1—Sr2	87.3 (19)
O3^viii—Ti3—Sr1	128.1 (8)	Sr1—OW1—Ba2	90.91 (8)
Ti1—Ti3—Sr1	67.7 (3)	Ba1—OW1—Ba2	90.91 (8)
Ti1^i—Ti3—Sr1	111.8 (4)	Sr1^ii—OW1—Ba2	178.2 (19)
Ba1^viii—Ti3—Sr1	118.2 (5)	Ba1^ii—OW1—Ba2	178.2 (19)
Sr1^viii—Ti3—Sr1	118.2 (5)	Sr2^ii—OW1—Ba2	87.3 (19)
O4—Ti3—Ba1	46.0 (7)	Ba2^ii—OW1—Ba2	87.3 (19)
O4^viii—Ti3—Ba1	89.9 (8)	Sr2—OW1—Ba2	0.00 (12)

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