A novel stibium phosphate, LiBa(SbO)₂(PO₄)₃: synthesis, crystal structure and RE³⁺-activated (RE = Tb³⁺ and Eu³⁺) fluorescence performance

A new stibium phosphate, lithium barium bis­(anti­mony oxide) tris­(phosphate), LiBa(SbO)₂(PO₄)₃, was prepared by the molten salt method with LiF as the flux. The crystal structure consists of an original three-dimensional anionic framework of [(SbO)₂(PO₄)₃]_∞ built from PO₄ tetra­hedra sharing their corners with SbO₆ octa­hedra. This framework delimits one-dimensional tunnels where the lithium(I) and barium(II) ions are located. The UV–Vis spectrum shows that LiBa(SbO)₂(PO₄)₃ was transparent from 350 to 800 nm, and is thus suitable as a luminescent host matrix. We then used Tb³⁺ and Eu³⁺ activators to test its luminous performance and the purities of the prepared phosphors were studied by powder X-ray diffraction analysis with Rietveld refinements. Photoluminescence (PL) studies reveal that the emission spectra of 1 mol% RE³⁺-doped (RE = Tb and Eu) samples can be excited by 371 and 394 nm light, emitting green and orange–red light, respectively, for Tb³⁺ and Eu³⁺. The CIE coordinates were measured to be (0.295, 0.571) and (0.6027, 0.3967), and the luminescent lifetimes were calculated as 0.178 and 1.159 ms, respectively.

Computing details

Data collection: APEX2 (Bruker, 2016); cell refinement: APEX2 (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015b); molecular graphics: SHELXL2017 (Sheldrick, 2015b); software used to prepare material for publication: SHELXL2017 (Sheldrick, 2015b).

(I)

Crystal data

BaLiO14P3Sb2	F(000) = 2544
Mr = 704.69	Dx = 4.569 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 15.5757 (18) Å	Cell parameters from 1258 reflections
b = 13.7204 (16) Å	θ = 2.7–24.6°
c = 9.5959 (11) Å	µ = 9.60 mm^−1
β = 92.513 (2)°	T = 296 K
V = 2048.7 (4) Å^3	Prism, colorless
Z = 8	0.20 × 0.10 × 0.10 mm

Data collection

Bruker APEXII CCD diffractometer	4531 independent reflections
Radiation source: fine-focus sealed tube	3496 reflections with I > 2σ(I)
ω scans	θmax = 28.3°, θmin = 2.0°
Absorption correction: multi-scan	h = −20→20
Tmin = 0.206, Tmax = 0.851	k = 0→17
4531 measured reflections	l = 0→12

Refinement

Refinement on F^2	12 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0463P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.040	(Δ/σ)max < 0.001
wR(F^2) = 0.098	Δρmax = 1.73 e Å^−3
S = 1.02	Δρmin = −2.23 e Å^−3
4531 reflections	Extinction correction: SHELXL2017 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
193 parameters	Extinction coefficient: 0.00089 (7)

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.

Refinement. Refined as a 2-component twin.

A suitable single crystal with dimensions of 0.20 × 0.10 × 0.10 mm was selected for the single-crystal X-ray diffraction (SC-XRD) experiments. A set of intensity data was collected using a Bruker SMART APEXII CCD diffractometer system equipped with a graphite-monochromator Mo Kα radiation source (λ = 0.71073 Å) with a tube power of 50 kV and 30 mA. The frames were collected at ambient temperature of 296 K with a scan width of 0.5 ° in ω and integrated with the Bruker SAINT software package using a narrow-frame integration algorithm (Bruker, 2016). The unit cell was determined and refined by least-squares method upon the refinement of XYZ centroid of reflections above 20 σ(I). No weak satellite reflections were observed and thus no structure modulation was considered in the structure model. Then the date was scaled for multi-scan absorption of APEX2 package. Intensities of all measured reflections were corrected for Lorentz–polarization (Lp) and crystal absorption effects. The structure solution was fulfilled by direct methods using software SHELX2017 (Sheldrick, 2015). Table 1 presents the experimental details for data collection and structural refinement details of compound LiBa(SbO)₂(PO₄)₃, important bond lengths and angles were given in Table 2, atomic coordinates and isotropic displacement coefficients are listed in Table S1, fractional atomic anisotropy displacement parameters (Ų) are listed in Table S2, and the detailed crystal data was embraced in a CIF file deposited in The Cambridge Crystallographic Data Centre (CCDC 1909308).

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

	x	y	z	Uiso*/Ueq
Li1	0.2685 (10)	0.5521 (11)	0.6540 (17)	0.014 (3)
Ba1	0.24822 (3)	0.17636 (4)	0.17783 (5)	0.00895 (16)
Sb1	0.000000	0.08462 (6)	0.250000	0.00442 (19)
Sb2	0.41526 (3)	0.24661 (4)	0.49787 (6)	0.00457 (16)
Sb3	0.500000	0.07604 (6)	0.250000	0.00446 (19)
P1	0.07056 (14)	0.10712 (16)	−0.0663 (2)	0.0045 (4)
P2	0.24624 (14)	0.39224 (15)	0.4409 (2)	0.0051 (4)
P3	0.41247 (13)	0.10670 (16)	−0.0658 (2)	0.0048 (4)
O1	−0.0167 (4)	0.1555 (4)	−0.0994 (6)	0.0079 (13)
O2	0.1491 (4)	0.1660 (4)	−0.0880 (7)	0.0088 (13)
O3	0.0750 (4)	0.0757 (4)	0.0909 (6)	0.0095 (13)
O4	0.0743 (3)	0.0165 (4)	−0.1611 (7)	0.0089 (13)
O5	0.4786 (4)	0.1879 (4)	−0.0823 (7)	0.0102 (13)
O6	0.3228 (4)	0.1441 (4)	−0.0863 (7)	0.0088 (13)
O7	0.4283 (4)	0.0260 (4)	−0.1716 (6)	0.0096 (13)
O8	0.4219 (4)	0.0653 (5)	0.0857 (6)	0.0111 (14)
O9	0.1561 (4)	0.3443 (4)	0.4024 (7)	0.0066 (13)
O10	0.2589 (3)	0.4741 (4)	0.3434 (6)	0.0084 (13)
O11	0.2532 (4)	0.4197 (4)	0.5911 (6)	0.0084 (13)
O12	0.3106 (4)	0.3058 (4)	0.4084 (6)	0.0085 (13)
O13	0.4214 (4)	0.1683 (4)	0.3292 (6)	0.0081 (13)
O14	0.4177 (4)	0.3245 (4)	0.6670 (7)	0.0075 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Li1	0.022 (9)	0.005 (7)	0.016 (8)	−0.003 (6)	−0.002 (7)	−0.001 (6)
Ba1	0.0111 (3)	0.0087 (3)	0.0070 (3)	−0.0006 (2)	−0.0008 (2)	0.0009 (2)
Sb1	0.0047 (4)	0.0044 (4)	0.0041 (4)	0.000	−0.0004 (3)	0.000
Sb2	0.0036 (3)	0.0048 (3)	0.0052 (3)	−0.0003 (2)	−0.0004 (2)	−0.0005 (2)
Sb3	0.0048 (4)	0.0045 (4)	0.0040 (4)	0.000	−0.0002 (3)	0.000
P1	0.0044 (10)	0.0055 (11)	0.0036 (11)	0.0009 (8)	0.0006 (8)	−0.0011 (9)
P2	0.0056 (10)	0.0042 (10)	0.0055 (10)	0.0000 (8)	−0.0010 (9)	−0.0003 (8)
P3	0.0033 (10)	0.0055 (11)	0.0056 (11)	−0.0002 (8)	0.0000 (9)	0.0004 (9)
O1	0.007 (3)	0.008 (3)	0.009 (3)	0.005 (2)	0.000 (2)	−0.004 (2)
O2	0.010 (3)	0.006 (3)	0.010 (3)	−0.002 (2)	−0.001 (3)	0.000 (2)
O3	0.012 (3)	0.011 (3)	0.006 (3)	0.002 (2)	0.001 (3)	0.000 (3)
O4	0.005 (3)	0.009 (3)	0.012 (3)	0.001 (2)	−0.001 (2)	−0.003 (3)
O5	0.008 (3)	0.009 (3)	0.014 (3)	−0.002 (2)	−0.001 (3)	0.005 (3)
O6	0.003 (3)	0.005 (3)	0.019 (4)	−0.002 (2)	−0.003 (3)	0.002 (3)
O7	0.011 (3)	0.009 (3)	0.009 (3)	0.005 (2)	0.002 (2)	−0.004 (2)
O8	0.009 (3)	0.017 (3)	0.007 (3)	−0.006 (3)	−0.004 (3)	0.008 (3)
O9	0.004 (3)	0.003 (3)	0.013 (3)	−0.002 (2)	−0.002 (2)	0.002 (2)
O10	0.005 (3)	0.011 (3)	0.009 (3)	−0.002 (2)	0.003 (2)	0.002 (2)
O11	0.012 (3)	0.007 (3)	0.006 (3)	0.001 (2)	−0.003 (3)	0.002 (2)
O12	0.007 (3)	0.011 (3)	0.008 (3)	0.003 (2)	−0.001 (3)	−0.002 (3)
O13	0.008 (3)	0.011 (3)	0.006 (3)	0.001 (2)	−0.001 (2)	−0.003 (3)
O14	0.005 (3)	0.010 (3)	0.008 (3)	−0.001 (2)	0.001 (2)	0.000 (3)

Geometric parameters (Å, º)

Li1—O10^i	1.865 (18)	Sb1—O4^viii	1.975 (6)
Li1—O11	1.926 (17)	Sb1—O4^ix	1.975 (6)
Li1—O6^ii	1.990 (17)	Sb2—O14	1.943 (6)
Li1—O2^ii	2.136 (17)	Sb2—O13	1.949 (6)
Li1—O4^ii	2.495 (17)	Sb2—O9^iii	1.949 (6)
Li1—P1^ii	2.783 (16)	Sb2—O1^x	1.972 (6)
Li1—P2^i	2.893 (16)	Sb2—O5^xi	1.980 (6)
Li1—P3^ii	3.002 (16)	Sb2—O12	1.982 (6)
Li1—P2	3.008 (16)	Sb3—O13	1.939 (6)
Li1—Ba1^iii	3.540 (16)	Sb3—O13^xi	1.939 (6)
Li1—Ba1^ii	3.611 (16)	Sb3—O8	1.954 (6)
Li1—Ba1^i	3.747 (15)	Sb3—O8^xi	1.954 (6)
Ba1—O11^iii	2.580 (6)	Sb3—O7^ix	1.961 (6)
Ba1—O10^iv	2.785 (6)	Sb3—O7^xii	1.961 (6)
Ba1—O6^v	2.825 (6)	P1—O2	1.489 (6)
Ba1—O2^v	2.846 (6)	P1—O1	1.533 (6)
Ba1—O6	2.868 (7)	P1—O4	1.544 (6)
Ba1—O2	2.926 (6)	P1—O3	1.567 (6)
Ba1—O12	2.967 (6)	P2—O10	1.480 (6)
Ba1—O13	3.009 (6)	P2—O11	1.489 (6)
Ba1—O14^iii	3.038 (6)	P2—O9	1.580 (6)
Ba1—O3	3.112 (6)	P2—O12	1.593 (6)
Ba1—O8	3.261 (6)	P3—O6	1.492 (6)
Sb1—O14^iii	1.935 (6)	P3—O7	1.530 (6)
Sb1—O14^vi	1.935 (6)	P3—O5	1.530 (6)
Sb1—O3	1.966 (6)	P3—O8	1.561 (6)
Sb1—O3^vii	1.966 (6)
O10^i—Li1—O11	96.3 (7)	O14^vi—Sb1—O3	97.2 (2)
O10^i—Li1—O6^ii	110.7 (8)	O14^iii—Sb1—O3^vii	97.2 (2)
O11—Li1—O6^ii	114.8 (8)	O14^vi—Sb1—O3^vii	87.4 (2)
O10^i—Li1—O2^ii	120.3 (8)	O3—Sb1—O3^vii	172.9 (3)
O11—Li1—O2^ii	131.7 (9)	O14^iii—Sb1—O4^viii	174.3 (2)
O6^ii—Li1—O2^ii	82.5 (6)	O14^vi—Sb1—O4^viii	84.8 (2)
O10^i—Li1—O4^ii	93.2 (7)	O3—Sb1—O4^viii	88.7 (2)
O11—Li1—O4^ii	86.1 (6)	O3^vii—Sb1—O4^viii	86.3 (2)
O6^ii—Li1—O4^ii	145.1 (8)	O14^iii—Sb1—O4^ix	84.8 (2)
O2^ii—Li1—O4^ii	63.3 (5)	O14^vi—Sb1—O4^ix	174.3 (2)
O10^i—Li1—P1^ii	117.3 (7)	O3—Sb1—O4^ix	86.3 (2)
O11—Li1—P1^ii	105.2 (7)	O3^vii—Sb1—O4^ix	88.7 (2)
O6^ii—Li1—P1^ii	111.7 (7)	O4^viii—Sb1—O4^ix	90.8 (3)
O2^ii—Li1—P1^ii	31.9 (3)	O14—Sb2—O13	176.1 (2)
O4^ii—Li1—P1^ii	33.5 (2)	O14—Sb2—O9^iii	86.1 (2)
O10^i—Li1—P2^i	26.5 (3)	O13—Sb2—O9^iii	96.0 (3)
O11—Li1—P2^i	121.9 (7)	O14—Sb2—O1^x	91.7 (2)
O6^ii—Li1—P2^i	91.7 (6)	O13—Sb2—O1^x	86.3 (3)
O2^ii—Li1—P2^i	100.8 (6)	O9^iii—Sb2—O1^x	176.8 (2)
O4^ii—Li1—P2^i	100.6 (5)	O14—Sb2—O5^xi	84.1 (2)
P1^ii—Li1—P2^i	111.3 (5)	O13—Sb2—O5^xi	92.6 (2)
O10^i—Li1—P3^ii	102.0 (7)	O9^iii—Sb2—O5^xi	91.3 (2)
O11—Li1—P3^ii	92.6 (6)	O1^x—Sb2—O5^xi	90.8 (2)
O6^ii—Li1—P3^ii	25.9 (3)	O14—Sb2—O12	97.0 (2)
O2^ii—Li1—P3^ii	107.6 (6)	O13—Sb2—O12	86.3 (2)
O4^ii—Li1—P3^ii	164.8 (7)	O9^iii—Sb2—O12	89.9 (2)
P1^ii—Li1—P3^ii	133.9 (6)	O1^x—Sb2—O12	88.0 (2)
P2^i—Li1—P3^ii	93.0 (5)	O5^xi—Sb2—O12	178.4 (3)
O10^i—Li1—P2	120.7 (7)	O14—Sb2—Ba1	138.78 (17)
O11—Li1—P2	24.5 (3)	O13—Sb2—Ba1	44.99 (17)
O6^ii—Li1—P2	100.4 (6)	O9^iii—Sb2—Ba1	81.89 (18)
O2^ii—Li1—P2	112.6 (7)	O1^x—Sb2—Ba1	98.29 (18)
O4^ii—Li1—P2	87.7 (5)	O5^xi—Sb2—Ba1	135.23 (17)
P1^ii—Li1—P2	94.1 (5)	O12—Sb2—Ba1	44.03 (17)
P2^i—Li1—P2	145.5 (6)	O13—Sb3—O13^xi	98.5 (4)
P3^ii—Li1—P2	84.9 (4)	O13—Sb3—O8	89.1 (3)
O10^i—Li1—Ba1^iii	51.3 (4)	O13^xi—Sb3—O8	96.6 (2)
O11—Li1—Ba1^iii	45.3 (4)	O13—Sb3—O8^xi	96.6 (2)
O6^ii—Li1—Ba1^iii	130.1 (7)	O13^xi—Sb3—O8^xi	89.1 (3)
O2^ii—Li1—Ba1^iii	147.2 (7)	O8—Sb3—O8^xi	171.3 (4)
O4^ii—Li1—Ba1^iii	84.6 (4)	O13—Sb3—O7^ix	86.3 (3)
P1^ii—Li1—Ba1^iii	117.6 (5)	O13^xi—Sb3—O7^ix	175.0 (2)
P2^i—Li1—Ba1^iii	77.6 (4)	O8—Sb3—O7^ix	84.9 (2)
P3^ii—Li1—Ba1^iii	105.2 (4)	O8^xi—Sb3—O7^ix	88.9 (3)
P2—Li1—Ba1^iii	69.9 (3)	O13—Sb3—O7^xii	175.0 (2)
O10^i—Li1—Ba1^ii	160.8 (8)	O13^xi—Sb3—O7^xii	86.3 (3)
O11—Li1—Ba1^ii	99.5 (6)	O8—Sb3—O7^xii	88.9 (3)
O6^ii—Li1—Ba1^ii	52.4 (4)	O8^xi—Sb3—O7^xii	84.9 (2)
O2^ii—Li1—Ba1^ii	54.1 (4)	O7^ix—Sb3—O7^xii	88.9 (4)
O4^ii—Li1—Ba1^ii	98.6 (5)	O2—P1—O1	117.6 (3)
P1^ii—Li1—Ba1^ii	68.7 (3)	O2—P1—O4	107.6 (3)
P2^i—Li1—Ba1^ii	135.0 (5)	O1—P1—O4	106.4 (3)
P3^ii—Li1—Ba1^ii	66.6 (3)	O2—P1—O3	106.4 (4)
P2—Li1—Ba1^ii	75.1 (3)	O1—P1—O3	108.6 (3)
Ba1^iii—Li1—Ba1^ii	144.7 (5)	O4—P1—O3	110.2 (3)
O10^i—Li1—Ba1^i	97.0 (6)	O2—P1—Li1^iv	49.3 (4)
O11—Li1—Ba1^i	161.3 (7)	O1—P1—Li1^iv	149.0 (4)
O6^ii—Li1—Ba1^i	47.8 (4)	O4—P1—Li1^iv	63.0 (4)
O2^ii—Li1—Ba1^i	49.0 (4)	O3—P1—Li1^iv	102.4 (4)
O4^ii—Li1—Ba1^i	106.2 (5)	O2—P1—Ba1	49.3 (3)
P1^ii—Li1—Ba1^i	80.1 (4)	O1—P1—Ba1	131.1 (2)
P2^i—Li1—Ba1^i	70.5 (3)	O4—P1—Ba1	122.6 (2)
P3^ii—Li1—Ba1^i	71.8 (3)	O3—P1—Ba1	57.1 (2)
P2—Li1—Ba1^i	139.4 (5)	Li1^iv—P1—Ba1	66.4 (3)
Ba1^iii—Li1—Ba1^i	147.6 (5)	O10—P2—O11	114.4 (3)
Ba1^ii—Li1—Ba1^i	65.2 (3)	O10—P2—O9	108.0 (3)
O11^iii—Ba1—O10^iv	63.39 (17)	O11—P2—O9	111.0 (4)
O11^iii—Ba1—O6^v	134.01 (19)	O10—P2—O12	109.8 (3)
O10^iv—Ba1—O6^v	146.36 (16)	O11—P2—O12	111.0 (3)
O11^iii—Ba1—O2^v	132.42 (18)	O9—P2—O12	101.8 (3)
O10^iv—Ba1—O2^v	139.15 (16)	O10—P2—Li1^xiii	34.2 (4)
O6^v—Ba1—O2^v	57.36 (17)	O11—P2—Li1^xiii	148.0 (4)
O11^iii—Ba1—O6	134.37 (18)	O9—P2—Li1^xiii	91.7 (4)
O10^iv—Ba1—O6	78.33 (16)	O12—P2—Li1^xiii	84.7 (4)
O6^v—Ba1—O6	91.62 (17)	O10—P2—Li1	82.1 (4)
O2^v—Ba1—O6	66.10 (17)	O11—P2—Li1	32.5 (4)
O11^iii—Ba1—O2	134.45 (18)	O9—P2—Li1	122.5 (4)
O10^iv—Ba1—O2	82.53 (16)	O12—P2—Li1	128.4 (4)
O6^v—Ba1—O2	65.59 (17)	Li1^xiii—P2—Li1	116.1 (2)
O2^v—Ba1—O2	93.13 (16)	O6—P3—O7	109.8 (3)
O6—Ba1—O2	56.01 (17)	O6—P3—O5	111.5 (3)
O11^iii—Ba1—O12	71.31 (17)	O7—P3—O5	109.2 (3)
O10^iv—Ba1—O12	131.43 (17)	O6—P3—O8	107.3 (4)
O6^v—Ba1—O12	79.70 (17)	O7—P3—O8	110.1 (4)
O2^v—Ba1—O12	66.50 (17)	O5—P3—O8	109.0 (3)
O6—Ba1—O12	128.26 (16)	O6—P3—Li1^iv	35.6 (4)
O2—Ba1—O12	145.29 (16)	O7—P3—Li1^iv	79.0 (4)
O11^iii—Ba1—O13	66.89 (18)	O5—P3—Li1^iv	141.3 (4)
O10^iv—Ba1—O13	91.76 (16)	O8—P3—Li1^iv	102.7 (4)
O6^v—Ba1—O13	120.86 (16)	O6—P3—Ba1	47.1 (3)
O2^v—Ba1—O13	70.77 (17)	O7—P3—Ba1	138.5 (2)
O6—Ba1—O13	91.80 (16)	O5—P3—Ba1	111.6 (3)
O2—Ba1—O13	147.81 (17)	O8—P3—Ba1	62.7 (2)
O12—Ba1—O13	53.47 (16)	Li1^iv—P3—Ba1	64.7 (3)
O11^iii—Ba1—O14^iii	62.45 (17)	P1—O1—Sb2^vi	133.4 (4)
O10^iv—Ba1—O14^iii	89.99 (16)	P1—O2—Li1^iv	98.8 (5)
O6^v—Ba1—O14^iii	79.98 (16)	P1—O2—Ba1^v	158.6 (4)
O2^v—Ba1—O14^iii	130.75 (16)	Li1^iv—O2—Ba1^v	96.5 (5)
O6—Ba1—O14^iii	144.94 (16)	P1—O2—Ba1	108.0 (3)
O2—Ba1—O14^iii	89.98 (17)	Li1^iv—O2—Ba1	89.6 (5)
O12—Ba1—O14^iii	83.95 (16)	Ba1^v—O2—Ba1	86.87 (16)
O13—Ba1—O14^iii	121.80 (16)	P1—O3—Sb1	136.7 (4)
O11^iii—Ba1—O3	87.93 (17)	P1—O3—Ba1	97.9 (3)
O10^iv—Ba1—O3	60.45 (15)	Sb1—O3—Ba1	107.6 (2)
O6^v—Ba1—O3	88.87 (16)	P1—O4—Sb1^viii	141.6 (4)
O2^v—Ba1—O3	138.42 (17)	P1—O4—Li1^iv	83.6 (4)
O6—Ba1—O3	94.29 (16)	Sb1^viii—O4—Li1^iv	134.8 (5)
O2—Ba1—O3	47.70 (16)	P3—O5—Sb2^xi	143.8 (4)
O12—Ba1—O3	135.81 (16)	P3—O6—Li1^iv	118.5 (6)
O13—Ba1—O3	149.46 (16)	P3—O6—Ba1^v	133.8 (3)
O14^iii—Ba1—O3	51.94 (16)	Li1^iv—O6—Ba1^v	100.8 (5)
O11^iii—Ba1—O8	91.87 (17)	P3—O6—Ba1	110.5 (3)
O10^iv—Ba1—O8	62.95 (15)	Li1^iv—O6—Ba1	94.3 (5)
O6^v—Ba1—O8	129.91 (17)	Ba1^v—O6—Ba1	88.38 (17)
O2^v—Ba1—O8	77.83 (16)	P3—O7—Sb3^xii	151.9 (4)
O6—Ba1—O8	46.77 (16)	P3—O8—Sb3	138.9 (4)
O2—Ba1—O8	98.80 (16)	P3—O8—Ba1	92.1 (3)
O12—Ba1—O8	103.50 (15)	Sb3—O8—Ba1	103.9 (2)
O13—Ba1—O8	51.45 (15)	P2—O9—Sb2^iii	132.2 (4)
O14^iii—Ba1—O8	149.83 (15)	P2—O10—Li1^xiii	119.3 (6)
O3—Ba1—O8	116.09 (15)	P2—O10—Ba1^ii	142.8 (3)
O11^iii—Ba1—Li1^iii	32.1 (3)	Li1^xiii—O10—Ba1^ii	97.2 (5)
O10^iv—Ba1—Li1^iii	31.5 (3)	P2—O11—Li1	123.0 (6)
O6^v—Ba1—Li1^iii	151.4 (3)	P2—O11—Ba1^iii	134.4 (3)
O2^v—Ba1—Li1^iii	149.8 (3)	Li1—O11—Ba1^iii	102.6 (5)
O6—Ba1—Li1^iii	107.9 (3)	P2—O12—Sb2	137.1 (4)
O2—Ba1—Li1^iii	107.9 (3)	P2—O12—Ba1	113.8 (3)
O12—Ba1—Li1^iii	102.6 (3)	Sb2—O12—Ba1	108.3 (2)
O13—Ba1—Li1^iii	80.2 (3)	Sb3—O13—Sb2	137.7 (3)
O14^iii—Ba1—Li1^iii	72.1 (3)	Sb3—O13—Ba1	113.8 (2)
O3—Ba1—Li1^iii	69.5 (3)	Sb2—O13—Ba1	107.8 (2)
O8—Ba1—Li1^iii	77.8 (3)	Sb1^iii—O14—Sb2	133.4 (3)
O14^iii—Sb1—O14^vi	99.8 (3)	Sb1^iii—O14—Ba1^iii	111.3 (2)
O14^iii—Sb1—O3	87.4 (2)	Sb2—O14—Ba1^iii	114.9 (2)

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