Synthesis and structure of M_0.5Bi₃P₂O₁₀ (M = Ca, Sr, Ba, Pb) series

A series of M_0.5Bi₃P₂O₁₀ compounds with M = Ca, Sr, Ba and Pb have been synthesized in MO-Bi₂O₃-P₂O₅ ternary systems by the ceramic method and the crystal structures were then solved using single-crystal X-ray diffraction data. These compounds are isostructural with Bi_6.67P₄O₂₀ (triclinic, space group P, Z = 2). The structures consist of infinite chains of Bi₂O₂ units along the c axis formed by linking BiO₈ and BiO₆ polyhedra. These chains are interconnected by MO₈ polyhedra forming two-dimensional layers in the ac plane. The phosphate tetrahedra are sandwiched between these layers.

S1. Comment

see text

S2. Experimental

see text

S3. Refinement

see text

Computing details

For all compounds, data collection: Bruker SMART; cell refinement: Bruker SMART; data reduction: Bruker SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 1990).

Figures

View of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level.

(cbpo) 'Calcium bismuth phosphate'

Crystal data

Bi3Ca0.5O10P2	Z = 2
Mr = 868.92	F(000) = 732
Triclinic, P1	Dx = 6.942 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.9100 (9) Å	Cell parameters from 4853 reflections
b = 7.5426 (10) Å	θ = 2.4–28.0°
c = 9.2027 (12) Å	µ = 64.08 mm^−1
α = 107.053 (2)°	T = 293 K
β = 93.812 (2)°	Block, colorless
γ = 112.278 (2)°	0.10 × 0.09 × 0.08 mm
V = 415.68 (9) Å^3

Data collection

Bruker APEX SMART CCD area detector diffractometer	1921 independent reflections
Radiation source: fine-focus sealed tube	1651 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.068
w scans	θmax = 28.0°, θmin = 2.4°
Absorption correction: numerical Interpolation using Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3	h = −8→9
Tmin = 0.004, Tmax = 0.017	k = −9→9
4853 measured reflections	l = −12→12

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)] = 0.057	Secondary atom site location: difference Fourier map
wR(F^2) = 0.155	w = 1/[σ^2(Fo^2) + (0.1072P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max < 0.001
1921 reflections	Δρmax = 3.82 e Å^−3
142 parameters	Δρmin = −7.94 e Å^−3

Special details

Experimental. see text

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
Bi1	0.66412 (9)	0.36939 (9)	0.48951 (6)	0.0225 (2)
Bi2	0.43324 (10)	0.28627 (9)	0.08302 (7)	0.0281 (2)
Bi3	0.18988 (9)	0.19567 (9)	0.67437 (7)	0.0229 (2)
Ca1	0	0.5	0	0.0318 (8)
P1	1.0505 (6)	0.7654 (6)	0.7621 (5)	0.0207 (7)
P2	0.3399 (6)	0.8925 (6)	0.2533 (5)	0.0206 (7)
O1	0.5548 (18)	0.5306 (17)	0.3664 (12)	0.023 (2)
O2	0.1235 (17)	0.7462 (19)	0.2703 (14)	0.028 (2)
O3	1.2247 (17)	0.6813 (18)	0.7606 (12)	0.026 (2)
O4	0.3214 (18)	0.4095 (18)	0.8989 (13)	0.026 (2)
O5	0.8877 (19)	0.669 (2)	0.8532 (16)	0.032 (3)
O6	0.3462 (18)	0.8200 (19)	0.0802 (13)	0.029 (2)
O7	0.3599 (18)	1.1123 (18)	0.3102 (14)	0.029 (2)
O8	0.948 (2)	0.7036 (17)	0.5891 (13)	0.029 (2)
O9	0.5226 (18)	0.8789 (18)	0.3501 (13)	0.026 (2)
O10	1.150 (2)	1.0056 (18)	0.8369 (14)	0.032 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi1	0.0241 (4)	0.0232 (4)	0.0227 (4)	0.0099 (3)	0.0045 (2)	0.0113 (2)
Bi2	0.0314 (4)	0.0253 (4)	0.0299 (4)	0.0109 (3)	0.0082 (3)	0.0134 (3)
Bi3	0.0237 (3)	0.0228 (3)	0.0221 (4)	0.0088 (3)	0.0027 (2)	0.0090 (2)
Ca1	0.0440 (19)	0.0095 (13)	0.0251 (16)	−0.0010 (12)	−0.0234 (14)	0.0056 (11)
P1	0.0227 (17)	0.0201 (18)	0.0212 (17)	0.0085 (14)	0.0056 (14)	0.0101 (14)
P2	0.0210 (17)	0.0192 (18)	0.0211 (17)	0.0064 (14)	0.0038 (14)	0.0089 (15)
O1	0.035 (6)	0.023 (5)	0.016 (5)	0.013 (5)	0.001 (4)	0.011 (4)
O2	0.019 (5)	0.037 (7)	0.035 (6)	0.016 (5)	0.009 (5)	0.020 (5)
O3	0.026 (5)	0.033 (6)	0.025 (5)	0.014 (5)	0.010 (4)	0.013 (5)
O4	0.029 (6)	0.032 (6)	0.023 (5)	0.014 (5)	0.009 (4)	0.015 (5)
O5	0.024 (6)	0.033 (6)	0.049 (8)	0.013 (5)	0.015 (5)	0.024 (6)
O6	0.029 (6)	0.040 (7)	0.022 (5)	0.016 (5)	0.005 (5)	0.014 (5)
O7	0.026 (6)	0.032 (6)	0.035 (6)	0.018 (5)	0.006 (5)	0.012 (5)
O8	0.041 (6)	0.020 (5)	0.027 (6)	0.014 (5)	0.007 (5)	0.010 (4)
O9	0.030 (6)	0.028 (6)	0.023 (5)	0.014 (5)	0.007 (4)	0.013 (4)
O10	0.044 (7)	0.022 (6)	0.029 (6)	0.009 (5)	0.012 (5)	0.013 (5)

Geometric parameters (Å, º)

Bi1—O1	2.174 (10)	Bi3—O2^viii	2.424 (10)
Bi1—O1^i	2.272 (11)	Ca1—O5^ix	2.384 (13)
Bi1—O7^ii	2.339 (12)	Ca1—O5^i	2.384 (13)
Bi1—O8	2.387 (12)	Ca1—O2^x	2.484 (13)
Bi1—O3^iii	2.445 (10)	Ca1—O2	2.484 (13)
Bi1—O9^i	2.719 (11)	Ca1—O6	2.537 (12)
Bi2—O4^i	2.226 (12)	Ca1—O6^x	2.537 (12)
Bi2—O4^iv	2.372 (11)	Ca1—O4^viii	2.704 (11)
Bi2—O6^v	2.397 (11)	Ca1—O4^iv	2.704 (11)
Bi2—O5^i	2.449 (11)	P1—O5	1.535 (12)
Bi2—O1	2.573 (10)	P1—O8	1.556 (12)
Bi2—O3^iii	2.573 (11)	P1—O3	1.558 (11)
Bi2—O10^vi	2.626 (13)	P1—O10	1.578 (12)
Bi2—O7^ii	2.756 (12)	P2—O7	1.533 (12)
Bi3—O4	2.093 (12)	P2—O6	1.535 (11)
Bi3—O9^i	2.269 (11)	P2—O2	1.536 (12)
Bi3—O1^i	2.301 (11)	P2—O9	1.549 (12)
Bi3—O10^vii	2.320 (12)
O1—Bi1—O1^i	75.9 (4)	O5^i—Ca1—O2^x	104.8 (4)
O1—Bi1—O7^ii	76.2 (4)	O5^ix—Ca1—O2	104.8 (4)
O1^i—Bi1—O7^ii	88.3 (4)	O5^i—Ca1—O2	75.2 (4)
O1—Bi1—O8	78.1 (4)	O2^x—Ca1—O2	180.0 (6)
O1^i—Bi1—O8	92.4 (4)	O5^ix—Ca1—O6	83.2 (4)
O7^ii—Bi1—O8	153.3 (4)	O5^i—Ca1—O6	96.8 (4)
O1—Bi1—O3^iii	70.9 (4)	O2^x—Ca1—O6	121.5 (4)
O1^i—Bi1—O3^iii	145.6 (4)	O2—Ca1—O6	58.5 (4)
O7^ii—Bi1—O3^iii	75.3 (4)	O5^ix—Ca1—O6^x	96.8 (4)
O8—Bi1—O3^iii	89.6 (4)	O5^i—Ca1—O6^x	83.2 (4)
O1—Bi1—O9^i	133.8 (4)	O2^x—Ca1—O6^x	58.5 (4)
O1^i—Bi1—O9^i	66.6 (4)	O2—Ca1—O6^x	121.5 (4)
O7^ii—Bi1—O9^i	76.7 (4)	O6—Ca1—O6^x	180.0 (5)
O8—Bi1—O9^i	127.8 (4)	O5^ix—Ca1—O4^viii	68.3 (4)
O3^iii—Bi1—O9^i	134.8 (4)	O5^i—Ca1—O4^viii	111.7 (4)
O4^i—Bi2—O4^iv	68.8 (5)	O2^x—Ca1—O4^viii	110.4 (3)
O4^i—Bi2—O6^v	80.4 (4)	O2—Ca1—O4^viii	69.6 (3)
O4^iv—Bi2—O6^v	90.5 (4)	O6—Ca1—O4^viii	110.6 (4)
O4^i—Bi2—O5^i	107.5 (4)	O6^x—Ca1—O4^viii	69.4 (4)
O4^iv—Bi2—O5^i	73.0 (4)	O5^ix—Ca1—O4^iv	111.7 (4)
O6^v—Bi2—O5^i	156.8 (4)	O5^i—Ca1—O4^iv	68.3 (4)
O4^i—Bi2—O1	69.3 (4)	O2^x—Ca1—O4^iv	69.6 (3)
O4^iv—Bi2—O1	116.0 (4)	O2—Ca1—O4^iv	110.4 (3)
O6^v—Bi2—O1	126.6 (4)	O6—Ca1—O4^iv	69.4 (4)
O5^i—Bi2—O1	76.2 (4)	O6^x—Ca1—O4^iv	110.6 (4)
O4^i—Bi2—O3^iii	75.6 (4)	O4^viii—Ca1—O4^iv	180
O4^iv—Bi2—O3^iii	140.8 (4)	O5^ix—Ca1—O3^ix	52.2 (3)
O6^v—Bi2—O3^iii	67.5 (4)	O5^i—Ca1—O3^ix	127.8 (3)
O5^i—Bi2—O3^iii	135.2 (4)	O2^x—Ca1—O3^ix	66.6 (3)
O1—Bi2—O3^iii	63.0 (3)	O2—Ca1—O3^ix	113.4 (3)
O4^i—Bi2—O10^vi	127.8 (4)	O6—Ca1—O3^ix	57.4 (3)
O4^iv—Bi2—O10^vi	64.5 (4)	O6^x—Ca1—O3^ix	122.6 (3)
O6^v—Bi2—O10^vi	77.9 (4)	O4^viii—Ca1—O3^ix	119.6 (3)
O5^i—Bi2—O10^vi	80.2 (4)	O4^iv—Ca1—O3^ix	60.4 (3)
O1—Bi2—O10^vi	154.6 (4)	O5^ix—Ca1—O3^i	127.8 (3)
O3^iii—Bi2—O10^vi	134.3 (4)	O5^i—Ca1—O3^i	52.2 (3)
O4^i—Bi2—O7^ii	128.4 (4)	O2^x—Ca1—O3^i	113.4 (3)
O4^iv—Bi2—O7^ii	151.6 (3)	O2—Ca1—O3^i	66.6 (3)
O6^v—Bi2—O7^ii	113.2 (4)	O6—Ca1—O3^i	122.6 (3)
O5^i—Bi2—O7^ii	79.6 (4)	O6^x—Ca1—O3^i	57.4 (3)
O1—Bi2—O7^ii	63.0 (3)	O4^viii—Ca1—O3^i	60.4 (3)
O3^iii—Bi2—O7^ii	66.4 (3)	O4^iv—Ca1—O3^i	119.6 (3)
O10^vi—Bi2—O7^ii	103.8 (4)	O3^ix—Ca1—O3^i	180.0000
O4—Bi3—O9^i	94.8 (4)	O5—P1—O8	112.1 (7)
O4—Bi3—O1^i	77.1 (4)	O5—P1—O3	108.6 (6)
O9^i—Bi3—O1^i	74.4 (4)	O8—P1—O3	105.9 (6)
O4—Bi3—O10^vii	74.5 (4)	O5—P1—O10	110.2 (7)
O9^i—Bi3—O10^vii	80.2 (4)	O8—P1—O10	108.4 (6)
O1^i—Bi3—O10^vii	139.8 (4)	O3—P1—O10	111.7 (7)
O4—Bi3—O2^viii	81.8 (4)	O7—P2—O6	111.5 (7)
O9^i—Bi3—O2^viii	171.7 (4)	O7—P2—O2	110.2 (7)
O1^i—Bi3—O2^viii	111.9 (4)	O6—P2—O2	106.1 (7)
O10^vii—Bi3—O2^viii	91.6 (4)	O7—P2—O9	109.3 (7)
O5^ix—Ca1—O5^i	180.0 (4)	O6—P2—O9	110.1 (6)
O5^ix—Ca1—O2^x	75.2 (4)	O2—P2—O9	109.6 (6)

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

(sbpo) 'Strontium bismuth phosphate'

Crystal data

Bi3O10P2Sr0.5	Z = 2
Mr = 892.7	F(000) = 756
Triclinic, P1	Dx = 7.039 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.964 (2) Å	Cell parameters from 4394 reflections
b = 7.568 (2) Å	θ = 2.4–27.7°
c = 9.207 (3) Å	µ = 66.07 mm^−1
α = 107.196 (4)°	T = 293 K
β = 93.527 (4)°	Block, colorless
γ = 112.106 (4)°	0.14 × 0.12 × 0.10 mm
V = 421.2 (2) Å^3

Data collection

Bruker APEX SMART CCD area detector diffractometer	1881 independent reflections
Radiation source: fine-focus sealed tube	1685 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.049
w scans	θmax = 27.7°, θmin = 2.4°
Absorption correction: numerical Interpolation using Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3	h = −9→9
Tmin = 0.003, Tmax = 0.014	k = −9→9
4394 measured reflections	l = −11→11

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)] = 0.069	Secondary atom site location: difference Fourier map
wR(F^2) = 0.184	w = 1/[σ^2(Fo^2) + (0.128P)^2 + 18.6788P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.003
1881 reflections	Δρmax = 4.19 e Å^−3
142 parameters	Δρmin = −10.81 e Å^−3

Special details

Experimental. see text

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
Bi1	0.66699 (10)	0.37426 (10)	0.49150 (8)	0.0164 (3)
Bi2	0.43472 (12)	0.28580 (12)	0.08419 (9)	0.0277 (3)
Bi3	0.19416 (10)	0.19582 (10)	0.67363 (8)	0.0163 (3)
Sr1	0.0000	0.5000	0.0000	0.0363 (6)
P1	1.0492 (7)	0.7671 (7)	0.7585 (5)	0.0158 (9)
P2	0.3448 (7)	0.8995 (7)	0.2576 (6)	0.0158 (9)
O1	0.559 (2)	0.531 (2)	0.3669 (15)	0.018 (2)
O2	0.128 (2)	0.758 (2)	0.2800 (17)	0.022 (3)
O3	1.216 (2)	0.679 (2)	0.7605 (15)	0.022 (3)
O4	0.320 (2)	0.409 (2)	0.8990 (15)	0.023 (3)
O5	0.876 (2)	0.667 (2)	0.8425 (18)	0.024 (3)
O6	0.351 (2)	0.830 (2)	0.0838 (18)	0.027 (3)
O7	0.371 (2)	1.119 (2)	0.3171 (16)	0.022 (3)
O8	0.950 (2)	0.710 (2)	0.5859 (16)	0.022 (3)
O9	0.520 (2)	0.880 (2)	0.3534 (16)	0.020 (3)
O10	1.150 (3)	1.004 (2)	0.8358 (19)	0.028 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi1	0.0167 (4)	0.0207 (4)	0.0161 (4)	0.0092 (3)	−0.0004 (3)	0.0109 (3)
Bi2	0.0281 (5)	0.0318 (5)	0.0292 (5)	0.0149 (4)	0.0060 (4)	0.0153 (4)
Bi3	0.0159 (4)	0.0198 (4)	0.0150 (4)	0.0081 (3)	−0.0016 (3)	0.0087 (3)
Sr1	0.0507 (13)	0.0177 (9)	0.0278 (10)	0.0043 (9)	−0.0253 (9)	0.0099 (8)
P1	0.016 (2)	0.020 (2)	0.016 (2)	0.0090 (17)	0.0018 (16)	0.0101 (17)
P2	0.013 (2)	0.019 (2)	0.017 (2)	0.0060 (17)	0.0000 (16)	0.0098 (17)
O1	0.021 (6)	0.019 (6)	0.018 (6)	0.012 (5)	0.004 (5)	0.010 (5)
O2	0.021 (7)	0.030 (7)	0.024 (7)	0.017 (6)	0.005 (5)	0.013 (6)
O3	0.024 (7)	0.030 (7)	0.018 (6)	0.018 (6)	−0.005 (5)	0.009 (5)
O4	0.032 (7)	0.025 (7)	0.009 (6)	0.010 (6)	−0.003 (5)	0.005 (5)
O5	0.019 (7)	0.031 (7)	0.033 (8)	0.014 (6)	0.010 (6)	0.021 (6)
O6	0.022 (7)	0.033 (8)	0.028 (8)	0.009 (6)	0.000 (6)	0.018 (6)
O7	0.018 (6)	0.021 (6)	0.024 (7)	0.005 (5)	−0.007 (5)	0.011 (5)
O8	0.025 (7)	0.032 (7)	0.015 (6)	0.013 (6)	−0.003 (5)	0.014 (5)
O9	0.018 (6)	0.031 (7)	0.020 (6)	0.016 (5)	0.001 (5)	0.014 (5)
O10	0.039 (9)	0.019 (7)	0.036 (8)	0.014 (6)	0.008 (7)	0.020 (6)

Geometric parameters (Å, º)

Bi1—O1	2.155 (13)	Bi3—O2^viii	2.441 (14)
Bi1—O1^i	2.290 (13)	Sr1—O5^i	2.490 (14)
Bi1—O7^ii	2.308 (13)	Sr1—O5^ix	2.490 (14)
Bi1—O8	2.409 (15)	Sr1—O2^x	2.587 (15)
Bi1—O3^iii	2.477 (14)	Sr1—O2	2.587 (15)
Bi1—O9^i	2.720 (14)	Sr1—O6^x	2.616 (14)
Bi2—O4^i	2.252 (14)	Sr1—O6	2.616 (14)
Bi2—O4^iv	2.398 (14)	Sr1—O4^iv	2.707 (15)
Bi2—O6^v	2.422 (16)	Sr1—O4^viii	2.707 (15)
Bi2—O5^i	2.423 (14)	P1—O3	1.542 (14)
Bi2—O1	2.574 (13)	P1—O5	1.552 (14)
Bi2—O3^iii	2.626 (13)	P1—O8	1.556 (14)
Bi2—O10^vi	2.663 (17)	P1—O10	1.565 (15)
Bi3—O4	2.099 (13)	P2—O7	1.523 (14)
Bi3—O9^i	2.279 (13)	P2—O6	1.538 (16)
Bi3—O1^i	2.289 (13)	P2—O9	1.539 (13)
Bi3—O10^vii	2.331 (14)	P2—O2	1.553 (15)
O1—Bi1—O1^i	76.1 (5)	O5^i—Sr1—O6^x	84.5 (5)
O1—Bi1—O7^ii	76.4 (5)	O5^ix—Sr1—O6^x	95.5 (5)
O1^i—Bi1—O7^ii	87.0 (5)	O2^x—Sr1—O6^x	57.4 (5)
O1—Bi1—O8	77.7 (5)	O2—Sr1—O6^x	122.6 (5)
O1^i—Bi1—O8	94.2 (5)	O5^i—Sr1—O6	95.5 (5)
O7^ii—Bi1—O8	153.0 (5)	O5^ix—Sr1—O6	84.5 (5)
O1—Bi1—O3^iii	71.2 (5)	O2^x—Sr1—O6	122.6 (5)
O1^i—Bi1—O3^iii	145.9 (4)	O2—Sr1—O6	57.4 (5)
O7^ii—Bi1—O3^iii	76.1 (5)	O6^x—Sr1—O6	180.0 (7)
O8—Bi1—O3^iii	88.4 (5)	O5^i—Sr1—O4^iv	67.9 (4)
O1—Bi1—O9^i	134.1 (4)	O5^ix—Sr1—O4^iv	112.1 (4)
O1^i—Bi1—O9^i	67.2 (4)	O2^x—Sr1—O4^iv	69.9 (4)
O7^ii—Bi1—O9^i	75.0 (4)	O2—Sr1—O4^iv	110.1 (4)
O8—Bi1—O9^i	130.1 (4)	O6^x—Sr1—O4^iv	109.9 (4)
O3^iii—Bi1—O9^i	133.2 (4)	O6—Sr1—O4^iv	70.1 (5)
O4^i—Bi2—O4^iv	69.1 (6)	O5^i—Sr1—O4^viii	112.1 (4)
O4^i—Bi2—O6^v	81.6 (5)	O5^ix—Sr1—O4^viii	67.9 (4)
O4^iv—Bi2—O6^v	91.0 (5)	O2^x—Sr1—O4^viii	110.1 (4)
O4^i—Bi2—O5^i	107.5 (5)	O2—Sr1—O4^viii	69.9 (4)
O4^iv—Bi2—O5^i	74.2 (5)	O6^x—Sr1—O4^viii	70.1 (4)
O6^v—Bi2—O5^i	157.7 (5)	O6—Sr1—O4^viii	109.9 (4)
O4^i—Bi2—O1	69.0 (4)	O4^iv—Sr1—O4^viii	180.0 (2)
O4^iv—Bi2—O1	116.1 (4)	O5^i—Sr1—O3^i	52.0 (4)
O6^v—Bi2—O1	127.0 (5)	O5^ix—Sr1—O3^i	128.0 (4)
O5^i—Bi2—O1	75.1 (5)	O2^x—Sr1—O3^i	113.0 (4)
O4^i—Bi2—O3^iii	74.8 (5)	O2—Sr1—O3^i	67.0 (4)
O4^iv—Bi2—O3^iii	140.3 (5)	O6^x—Sr1—O3^i	58.1 (4)
O6^v—Bi2—O3^iii	67.5 (5)	O6—Sr1—O3^i	121.9 (4)
O5^i—Bi2—O3^iii	134.0 (5)	O4^iv—Sr1—O3^i	118.7 (4)
O1—Bi2—O3^iii	62.8 (4)	O4^viii—Sr1—O3^i	61.3 (4)
O4^i—Bi2—O10^vi	127.6 (4)	O5^i—Sr1—O3^ix	128.0 (4)
O4^iv—Bi2—O10^vi	64.1 (4)	O5^ix—Sr1—O3^ix	52.0 (4)
O6^v—Bi2—O10^vi	77.1 (5)	O2^x—Sr1—O3^ix	67.0 (4)
O5^i—Bi2—O10^vi	81.4 (5)	O2—Sr1—O3^ix	113.0 (4)
O1—Bi2—O10^vi	155.0 (5)	O6^x—Sr1—O3^ix	121.9 (4)
O3^iii—Bi2—O10^vi	134.7 (4)	O6—Sr1—O3^ix	58.1 (4)
O4—Bi3—O9^i	95.9 (6)	O4^iv—Sr1—O3^ix	61.3 (4)
O4—Bi3—O1^i	77.4 (5)	O4^viii—Sr1—O3^ix	118.7 (4)
O9^i—Bi3—O1^i	75.5 (5)	O3^i—Sr1—O3^ix	180.0 (5)
O4—Bi3—O10^vii	74.7 (5)	O3—P1—O5	108.4 (8)
O9^i—Bi3—O10^vii	81.1 (5)	O3—P1—O8	107.5 (8)
O1^i—Bi3—O10^vii	141.2 (5)	O5—P1—O8	109.4 (9)
O4—Bi3—O2^viii	83.5 (5)	O3—P1—O10	111.9 (9)
O9^i—Bi3—O2^viii	172.0 (5)	O5—P1—O10	111.0 (9)
O1^i—Bi3—O2^viii	112.0 (5)	O8—P1—O10	108.7 (8)
O10^vii—Bi3—O2^viii	91.1 (5)	O7—P2—O6	111.1 (8)
O5^i—Sr1—O5^ix	180.000 (1)	O7—P2—O9	108.8 (8)
O5^i—Sr1—O2^x	105.6 (5)	O6—P2—O9	111.2 (8)
O5^ix—Sr1—O2^x	74.4 (5)	O7—P2—O2	109.7 (8)
O5^i—Sr1—O2	74.4 (5)	O6—P2—O2	108.0 (8)
O5^ix—Sr1—O2	105.6 (5)	O9—P2—O2	108.0 (8)
O2^x—Sr1—O2	180.0 (11)

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

(bbpo) 'Barium bismuth phosphate'

Crystal data

Ba0.5Bi3O10P2	Z = 2
Mr = 917.55	F(000) = 774
Triclinic, P1	Dx = 7.116 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.0141 (9) Å	Cell parameters from 4758 reflections
b = 7.6084 (10) Å	θ = 3.1–28.0°
c = 9.2525 (12) Å	µ = 64.16 mm^−1
α = 107.339 (2)°	T = 293 K
β = 93.086 (2)°	Block, colorless
γ = 112.294 (2)°	0.09 × 0.08 × 0.07 mm
V = 428.24 (10) Å^3

Data collection

Bruker APEX SMART CCD area detector diffractometer	1968 independent reflections
Radiation source: fine-focus sealed tube	1740 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.049
w scans	θmax = 28.0°, θmin = 3.1°
Absorption correction: numerical Interpolation using Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3	h = −9→9
Tmin = 0.005, Tmax = 0.018	k = −9→9
4394 measured reflections	l = −12→11

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)] = 0.069	Secondary atom site location: difference Fourier map
wR(F^2) = 0.182	w = 1/[σ^2(Fo^2) + (0.0871P)^2 + 67.3458P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
1968 reflections	Δρmax = 8.86 e Å^−3
142 parameters	Δρmin = −9.43 e Å^−3

Special details

Experimental. see text

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
Bi1	0.66531 (13)	0.37512 (13)	0.49246 (10)	0.0154 (3)
Bi2	0.43116 (19)	0.28115 (19)	0.08402 (14)	0.0354 (4)
Bi3	0.19662 (14)	0.19691 (13)	0.67293 (10)	0.0176 (3)
Ba1	0.0000	0.5	0.0000	0.0640 (9)
P1	1.0487 (10)	0.7662 (9)	0.7557 (7)	0.0169 (12)
P2	0.3416 (9)	0.8987 (9)	0.2608 (7)	0.0152 (11)
O1	0.556 (3)	0.530 (2)	0.3667 (19)	0.017 (3)
O2	0.128 (3)	0.758 (3)	0.285 (2)	0.022 (4)
O3	1.218 (3)	0.682 (3)	0.760 (2)	0.025 (4)
O4	0.319 (3)	0.408 (3)	0.897 (2)	0.028 (4)
O5	0.879 (4)	0.664 (3)	0.840 (3)	0.035 (5)
O6	0.345 (3)	0.832 (3)	0.090 (2)	0.029 (4)
O7	0.369 (3)	1.117 (3)	0.321 (2)	0.026 (4)
O8	0.951 (3)	0.706 (3)	0.586 (2)	0.026 (4)
O9	0.519 (3)	0.873 (3)	0.347 (2)	0.019 (4)
O10	1.140 (3)	0.999 (3)	0.831 (2)	0.029 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi1	0.0169 (5)	0.0151 (4)	0.0140 (5)	0.0046 (3)	0.0043 (3)	0.0071 (3)
Bi2	0.0378 (7)	0.0442 (7)	0.0335 (7)	0.0217 (6)	0.0180 (5)	0.0181 (6)
Bi3	0.0179 (5)	0.0156 (5)	0.0143 (5)	0.0032 (3)	0.0030 (3)	0.0033 (3)
Ba1	0.0778 (17)	0.0140 (8)	0.0671 (16)	−0.0025 (9)	−0.0552 (14)	0.0089 (9)
P1	0.020 (3)	0.011 (3)	0.015 (3)	0.002 (2)	0.010 (2)	0.004 (2)
P2	0.015 (3)	0.015 (3)	0.014 (3)	0.004 (2)	0.004 (2)	0.004 (2)
O1	0.026 (9)	0.012 (7)	0.011 (7)	0.004 (7)	0.001 (6)	0.007 (6)
O2	0.018 (8)	0.011 (8)	0.032 (10)	−0.002 (6)	0.006 (7)	0.012 (7)
O3	0.023 (9)	0.029 (10)	0.020 (9)	0.008 (8)	0.000 (7)	0.006 (8)
O4	0.045 (12)	0.016 (8)	0.016 (9)	0.004 (8)	0.010 (8)	0.008 (7)
O5	0.037 (12)	0.021 (10)	0.046 (13)	0.004 (9)	0.027 (10)	0.019 (9)
O6	0.043 (12)	0.027 (10)	0.012 (8)	0.004 (9)	0.003 (8)	0.012 (8)
O7	0.018 (9)	0.021 (9)	0.036 (11)	0.001 (7)	−0.005 (8)	0.014 (8)
O8	0.031 (10)	0.021 (9)	0.018 (9)	0.004 (8)	−0.003 (7)	0.006 (7)
O9	0.024 (9)	0.028 (9)	0.023 (9)	0.018 (8)	0.016 (7)	0.020 (8)
O10	0.037 (11)	0.025 (10)	0.034 (11)	0.016 (9)	0.022 (9)	0.018 (9)

Geometric parameters (Å, º)

Bi1—O1	2.178 (16)	Bi3—O2^viii	2.463 (19)
Bi1—O1^i	2.267 (18)	Ba1—O5^ix	2.49 (2)
Bi1—O7^ii	2.321 (19)	Ba1—O5^i	2.49 (2)
Bi1—O8	2.404 (19)	Ba1—O6	2.61 (2)
Bi1—O3^iii	2.486 (19)	Ba1—O6^x	2.61 (2)
Bi1—O9^i	2.731 (16)	Ba1—O2	2.633 (19)
Bi2—O4^i	2.295 (19)	Ba1—O2^x	2.633 (19)
Bi2—O4^iv	2.44 (2)	Ba1—O4^viii	2.72 (2)
Bi2—O5^i	2.47 (2)	Ba1—O4^iv	2.72 (2)
Bi2—O6^v	2.50 (2)	P1—O8	1.536 (19)
Bi2—O1	2.596 (17)	P1—O5	1.545 (19)
Bi2—O3^iii	2.661 (19)	P1—O10	1.54 (2)
Bi2—O10^vi	2.72 (2)	P1—O3	1.55 (2)
Bi3—O4	2.100 (19)	P2—O7	1.51 (2)
Bi3—O9^i	2.255 (16)	P2—O6	1.517 (19)
Bi3—O1^i	2.289 (17)	P2—O9	1.547 (18)
Bi3—O10^vii	2.347 (19)	P2—O2	1.548 (18)
O1—Bi1—O1^i	76.2 (7)	O5^ix—Ba1—O2	107.1 (7)
O1—Bi1—O7^ii	76.8 (6)	O5^i—Ba1—O2	72.9 (7)
O1^i—Bi1—O7^ii	87.2 (7)	O6—Ba1—O2	56.4 (6)
O1—Bi1—O8	79.1 (6)	O6^x—Ba1—O2	123.6 (6)
O1^i—Bi1—O8	94.9 (7)	O5^ix—Ba1—O2^x	72.9 (7)
O7^ii—Bi1—O8	154.6 (6)	O5^i—Ba1—O2^x	107.1 (7)
O1—Bi1—O3^iii	71.6 (6)	O6—Ba1—O2^x	123.6 (6)
O1^i—Bi1—O3^iii	146.4 (6)	O6^x—Ba1—O2^x	56.4 (6)
O7^ii—Bi1—O3^iii	76.2 (7)	O2—Ba1—O2^x	180.0000
O8—Bi1—O3^iii	88.6 (7)	O5^ix—Ba1—O4^viii	68.8 (6)
O1—Bi1—O9^i	134.0 (6)	O5^i—Ba1—O4^viii	111.2 (6)
O1^i—Bi1—O9^i	66.7 (5)	O6—Ba1—O4^viii	108.7 (6)
O7^ii—Bi1—O9^i	75.2 (6)	O6^x—Ba1—O4^viii	71.3 (6)
O8—Bi1—O9^i	128.7 (6)	O2—Ba1—O4^viii	70.0 (6)
O3^iii—Bi1—O9^i	133.5 (6)	O2^x—Ba1—O4^viii	110.0 (6)
O4^i—Bi2—O4^iv	69.0 (9)	O5^ix—Ba1—O4^iv	111.2 (6)
O4^i—Bi2—O5^i	106.4 (7)	O5^i—Ba1—O4^iv	68.8 (6)
O4^iv—Bi2—O5^i	73.9 (7)	O6—Ba1—O4^iv	71.3 (6)
O4^i—Bi2—O6^v	80.7 (7)	O6^x—Ba1—O4^iv	108.7 (6)
O4^iv—Bi2—O6^v	90.2 (6)	O2—Ba1—O4^iv	110.0 (6)
O5^i—Bi2—O6^v	158.2 (8)	O2^x—Ba1—O4^iv	70.0 (6)
O4^i—Bi2—O1	68.1 (6)	O4^viii—Ba1—O4^iv	180
O4^iv—Bi2—O1	115.3 (6)	O5^ix—Ba1—O3^ix	51.1 (6)
O5^i—Bi2—O1	74.6 (7)	O5^i—Ba1—O3^ix	128.9 (6)
O6^v—Bi2—O1	126.6 (6)	O6—Ba1—O3^ix	59.3 (5)
O4^i—Bi2—O3^iii	74.4 (7)	O6^x—Ba1—O3^ix	120.7 (5)
O4^iv—Bi2—O3^iii	139.8 (6)	O2—Ba1—O3^ix	113.4 (5)
O5^i—Bi2—O3^iii	133.8 (7)	O2^x—Ba1—O3^ix	66.6 (5)
O6^v—Bi2—O3^iii	67.7 (6)	O4^viii—Ba1—O3^ix	118.5 (5)
O1—Bi2—O3^iii	62.8 (6)	O4^iv—Ba1—O3^ix	61.5 (5)
O4^i—Bi2—O10^vi	127.5 (6)	O5^ix—Ba1—O3^i	128.9 (6)
O4^iv—Bi2—O10^vi	63.7 (6)	O5^i—Ba1—O3^i	51.1 (6)
O5^i—Bi2—O10^vi	81.5 (7)	O6—Ba1—O3^i	120.7 (5)
O6^v—Bi2—O10^vi	78.0 (6)	O6^x—Ba1—O3^i	59.3 (5)
O1—Bi2—O10^vi	154.9 (6)	O2—Ba1—O3^i	66.6 (5)
O3^iii—Bi2—O10^vi	135.7 (6)	O2^x—Ba1—O3^i	113.4 (5)
O4—Bi3—O9^i	94.5 (8)	O4^viii—Ba1—O3^i	61.5 (5)
O4—Bi3—O1^i	77.4 (6)	O4^iv—Ba1—O3^i	118.5 (5)
O9^i—Bi3—O1^i	75.2 (6)	O3^ix—Ba1—O3^i	180.0000
O4—Bi3—O10^vii	75.7 (7)	O8—P1—O5	109.4 (13)
O9^i—Bi3—O10^vii	81.4 (6)	O8—P1—O10	109.1 (11)
O1^i—Bi3—O10^vii	142.5 (7)	O5—P1—O10	110.7 (11)
O4—Bi3—O2^viii	84.2 (8)	O8—P1—O3	107.9 (11)
O9^i—Bi3—O2^viii	172.2 (6)	O5—P1—O3	107.2 (12)
O1^i—Bi3—O2^viii	111.9 (6)	O10—P1—O3	112.4 (12)
O10^vii—Bi3—O2^viii	90.8 (6)	O7—P2—O6	110.7 (11)
O5^ix—Ba1—O5^i	180.0 (6)	O7—P2—O9	110.3 (11)
O5^ix—Ba1—O6	85.0 (7)	O6—P2—O9	108.9 (11)
O5^i—Ba1—O6	95.0 (7)	O7—P2—O2	110.3 (11)
O5^ix—Ba1—O6^x	95.0 (7)	O6—P2—O2	107.9 (11)
O5^i—Ba1—O6^x	85.0 (7)	O9—P2—O2	108.6 (10)
O6—Ba1—O6^x	180.0000

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

(pbpo) 'Lead bismuth phosphate'

Crystal data

Bi3O10P2Pb0.5	Z = 2
Mr = 952.47	F(000) = 800
Triclinic, P1	Dx = 7.333 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.029 (4) Å	Cell parameters from 4345 reflections
b = 7.627 (4) Å	θ = 2.4–27.6°
c = 9.268 (5) Å	µ = 71.16 mm^−1
α = 107.295 (7)°	T = 293 K
β = 93.400 (7)°	Block, colorless
γ = 112.067 (7)°	0.08 × 0.07 × 0.06 mm
V = 431.4 (4) Å^3

Data collection

Bruker APEX SMART CCD area detector diffractometer	1905 independent reflections
Radiation source: fine-focus sealed tube	1707 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
w scans	θmax = 27.6°, θmin = 2.4°
Absorption correction: numerical Interpolation using Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3	h = −9→9
Tmin = 0.002, Tmax = 0.013	k = −10→10
4345 measured reflections	l = −12→12

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)] = 0.062	Secondary atom site location: difference Fourier map
wR(F^2) = 0.176	w = 1/[σ^2(Fo^2) + (0.1309P)^2 + 1.2985P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.002
1905 reflections	Δρmax = 6.07 e Å^−3
142 parameters	Δρmin = −5.95 e Å^−3

Special details

Experimental. see text

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
Bi1	0.66748 (9)	0.37498 (9)	0.49222 (7)	0.0199 (3)
Bi2	0.43446 (10)	0.28404 (10)	0.08482 (8)	0.0283 (3)
Bi3	0.19417 (9)	0.19447 (9)	0.67208 (7)	0.0206 (3)
Pb1	0	0.5	0	0.0421 (4)
P1	1.0494 (7)	0.7672 (6)	0.7581 (5)	0.0187 (8)
P2	0.3458 (6)	0.9004 (6)	0.2577 (5)	0.0180 (8)
O1	0.5575 (18)	0.5316 (16)	0.3685 (14)	0.021 (2)
O2	0.129 (2)	0.758 (2)	0.2818 (17)	0.029 (3)
O3	1.2151 (19)	0.680 (2)	0.7620 (16)	0.029 (3)
O4	0.324 (2)	0.4070 (19)	0.8971 (15)	0.027 (3)
O5	0.876 (2)	0.669 (2)	0.8411 (19)	0.033 (3)
O6	0.351 (2)	0.833 (2)	0.0852 (16)	0.032 (3)
O7	0.368 (2)	1.1178 (19)	0.3173 (18)	0.029 (3)
O8	0.954 (2)	0.7112 (19)	0.5886 (14)	0.024 (2)
O9	0.519 (2)	0.878 (2)	0.3517 (14)	0.025 (2)
O10	1.144 (2)	0.9962 (19)	0.8322 (16)	0.028 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi1	0.0182 (4)	0.0202 (4)	0.0219 (4)	0.0091 (3)	0.0002 (3)	0.0074 (3)
Bi2	0.0265 (5)	0.0290 (5)	0.0351 (5)	0.0154 (4)	0.0082 (4)	0.0133 (4)
Bi3	0.0179 (4)	0.0208 (4)	0.0230 (4)	0.0093 (3)	0.0000 (3)	0.0064 (3)
Pb1	0.0511 (7)	0.0228 (5)	0.0383 (7)	0.0086 (5)	−0.0212 (5)	0.0055 (4)
P1	0.0201 (19)	0.0201 (19)	0.017 (2)	0.0107 (16)	0.0018 (15)	0.0049 (16)
P2	0.0165 (18)	0.0207 (18)	0.0159 (18)	0.0077 (15)	0.0008 (15)	0.0052 (15)
O1	0.021 (6)	0.016 (5)	0.022 (6)	0.008 (4)	−0.002 (5)	0.004 (4)
O2	0.020 (6)	0.035 (7)	0.041 (8)	0.017 (5)	0.013 (6)	0.018 (6)
O3	0.023 (6)	0.043 (7)	0.032 (7)	0.024 (6)	−0.004 (5)	0.013 (6)
O4	0.037 (7)	0.024 (6)	0.018 (6)	0.012 (5)	0.005 (5)	0.009 (5)
O5	0.027 (7)	0.033 (7)	0.049 (9)	0.018 (6)	0.015 (6)	0.021 (7)
O6	0.029 (7)	0.042 (7)	0.029 (7)	0.016 (6)	0.002 (6)	0.016 (6)
O7	0.021 (6)	0.024 (6)	0.047 (8)	0.011 (5)	0.005 (6)	0.019 (6)
O8	0.030 (6)	0.027 (6)	0.014 (6)	0.014 (5)	−0.005 (5)	0.005 (4)
O9	0.028 (6)	0.040 (7)	0.019 (6)	0.023 (6)	0.001 (5)	0.012 (5)
O10	0.040 (7)	0.021 (6)	0.028 (7)	0.017 (5)	−0.004 (6)	0.012 (5)

Geometric parameters (Å, º)

Bi1—O1	2.177 (11)	Bi3—O10^vii	2.368 (12)
Bi1—O1^i	2.284 (12)	Bi3—O2^viii	2.471 (12)
Bi1—O7^ii	2.346 (14)	Pb1—O5^ix	2.530 (14)
Bi1—O8	2.443 (13)	Pb1—O5^i	2.530 (14)
Bi1—O3^iii	2.513 (14)	Pb1—O2	2.616 (15)
Bi1—O9^i	2.741 (13)	Pb1—O2^x	2.616 (15)
Bi2—O4^i	2.279 (12)	Pb1—O6	2.650 (14)
Bi2—O4^iv	2.422 (13)	Pb1—O6^x	2.650 (14)
Bi2—O5^i	2.449 (13)	P1—O10	1.525 (13)
Bi2—O6^v	2.453 (14)	P1—O8	1.537 (12)
Bi2—O1	2.603 (12)	P1—O3	1.549 (11)
Bi2—O3^iii	2.645 (11)	P1—O5	1.549 (14)
Bi2—O10^vi	2.735 (14)	P2—O7	1.525 (13)
Bi3—O4	2.112 (13)	P2—O6	1.534 (15)
Bi3—O9^i	2.284 (12)	P2—O9	1.550 (12)
Bi3—O1^i	2.315 (12)	P2—O2	1.578 (13)
O1—Bi1—O1^i	75.5 (5)	O4—Bi3—O1^i	77.0 (4)
O1—Bi1—O7^ii	76.4 (4)	O9^i—Bi3—O1^i	75.0 (4)
O1^i—Bi1—O7^ii	86.4 (4)	O4—Bi3—O10^vii	75.6 (5)
O1—Bi1—O8	78.5 (4)	O9^i—Bi3—O10^vii	81.2 (5)
O1^i—Bi1—O8	94.7 (4)	O1^i—Bi3—O10^vii	142.0 (5)
O7^ii—Bi1—O8	153.7 (4)	O4—Bi3—O2^viii	84.6 (5)
O1—Bi1—O3^iii	71.7 (4)	O9^i—Bi3—O2^viii	172.2 (4)
O1^i—Bi1—O3^iii	145.6 (4)	O1^i—Bi3—O2^viii	112.1 (4)
O7^ii—Bi1—O3^iii	76.3 (5)	O10^vii—Bi3—O2^viii	91.0 (5)
O8—Bi1—O3^iii	88.6 (4)	O5^ix—Pb1—O5^i	180.0 (4)
O1—Bi1—O9^i	133.5 (4)	O5^ix—Pb1—O2	105.9 (5)
O1^i—Bi1—O9^i	67.0 (4)	O5^i—Pb1—O2	74.1 (5)
O7^ii—Bi1—O9^i	74.9 (4)	O5^ix—Pb1—O2^x	74.1 (5)
O8—Bi1—O9^i	129.5 (4)	O5^i—Pb1—O2^x	105.9 (5)
O3^iii—Bi1—O9^i	133.3 (4)	O2—Pb1—O2^x	180.0 (6)
O4^i—Bi2—O4^iv	68.3 (6)	O5^ix—Pb1—O6	84.3 (4)
O4^i—Bi2—O5^i	106.6 (5)	O5^i—Pb1—O6	95.7 (4)
O4^iv—Bi2—O5^i	75.2 (5)	O2—Pb1—O6	57.2 (4)
O4^i—Bi2—O6^v	82.6 (5)	O2^x—Pb1—O6	122.8 (4)
O4^iv—Bi2—O6^v	90.0 (4)	O5^ix—Pb1—O6^x	95.7 (4)
O5^i—Bi2—O6^v	157.6 (5)	O5^i—Pb1—O6^x	84.3 (4)
O4^i—Bi2—O1	68.5 (4)	O2—Pb1—O6^x	122.8 (4)
O4^iv—Bi2—O1	116.1 (4)	O2^x—Pb1—O6^x	57.2 (4)
O5^i—Bi2—O1	74.9 (5)	O6—Pb1—O6^x	180
O6^v—Bi2—O1	127.4 (4)	O10—P1—O8	108.2 (7)
O4^i—Bi2—O3^iii	75.2 (5)	O10—P1—O3	112.3 (8)
O4^iv—Bi2—O3^iii	139.1 (4)	O8—P1—O3	108.0 (7)
O5^i—Bi2—O3^iii	134.5 (5)	O10—P1—O5	110.6 (8)
O6^v—Bi2—O3^iii	67.2 (5)	O8—P1—O5	109.4 (8)
O1—Bi2—O3^iii	63.4 (4)	O3—P1—O5	108.3 (7)
O4^i—Bi2—O10^vi	127.8 (4)	O7—P2—O6	110.9 (8)
O4^iv—Bi2—O10^vi	64.2 (4)	O7—P2—O9	110.1 (8)
O5^i—Bi2—O10^vi	81.3 (5)	O6—P2—O9	111.2 (7)
O6^v—Bi2—O10^vi	77.1 (4)	O7—P2—O2	109.0 (7)
O1—Bi2—O10^vi	154.7 (4)	O6—P2—O2	108.3 (8)
O3^iii—Bi2—O10^vi	134.7 (4)	O9—P2—O2	107.3 (7)
O4—Bi3—O9^i	94.1 (5)

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