A new bis­muth iron oxyphosphate, Bi₆(Bi_0.32Fe_0.68)(PO₄)₄O₄

Iron was inserted into the known crystal structure of the bis­muth phosphate oxide Bi_6.67(PO₄)₄O₄ to ascertain its location in the vacancies associated with the bis­muth ion located at the origin of the unit cell. Single-crystal X-ray diffraction refinements converged to a model of composition Bi₆(Bi_0.32Fe_0.68)(PO₄)₄O₄ (hexabismuth iron tetraphosphate tetraoxide), in which Bi and Fe are displaced from the origin giving rise to a random distribution over the 2i sites instead of 1a, the origin of space group P. The isotropic displacement parameter for Bi/Fe has a reasonable value in this model. This structure establishes for the first time that Fe substitutes in the Bi-deficient site in this series of materials and that Fe and Bi are disordered around the center of symmetry. These results enhance understanding of the crystal chemistry of these main group phosphates that are of inter­est in ion transport.

S1. Comment

Recently the crystal structure of a pillared lithium bismuth phosphate, LiBi_7.37P₃O₁₉, was described in which Li is incorporated in an interstitial tetrahedral site by four O atoms (Arumugam et al., 2007). Preliminary experiments indicated that no Li⁺ transport occurs in this compound. We attempted to substitute Fe²⁺ into the structure, hoping that any charge deficiency would be balanced by additional introduction of Li into the structure. The synthesis of a putative Li₂Bi_7.37-xFe_xP₃O₁₉ from stoichiometric mixtures in the ratio 3:8:6:5 of Li₂CO₃, NH₄H₂PO₄, Bi₂O₃ and metallic Fe, respectively, by the standard ceramic technique led to single crystals that were eventually identified as isostructural with Bi_6.67(PO₄)₄O₄ (Ketatni et al., 1998; Giraud et al., 2000). The single-crystal X-ray diffraction refinement of the crystal structure of Bi_6.67(PO₄)₄O₄ (Ketatni et al., 1998) showed that the site occupancy of the Bi4 atom at the origin, (0 0 0), was less than unity, 0.67 (6), and the equivalent isotropic displacement parameter was large, 3.44 (6) Ų (U_eq = 0.044 Ų). The authors also reported the unit-cell parameters of phases containing Li, Na, K, Sr, Cd, Ca and Pb, where the substituents were placed into the site containing the vacancy, Bi_6.5A⁺_0.5 and Bi₆M²⁺. Giraud et al., (2000) investigated several of these phases, including PbBi₆(PO₄)₄O₄, using Rietveld refinement of X-ray diffraction data and reported that Pb completely replaced Bi at the origin. However, its isotropic displacement parameter was large.

A single-crystal was selected from the product and X-ray fluorescence spectroscopy showed the presence of iron. We decided, therefore, to subject this crystal to a complete structure determination to clarify the location of Fe and to see whether the anomalously large displacement parameter of the occupant atom at the origin position could be due to disorder. We report the result here.

The crystal structure of Bi_6.67(PO₄)₄O₄ has previously been described by Ketatni et al. (1998) and Giraud et al. (2000). Using the reported atomic parameters, our absorption-corrected intensities and anisotropic displacement parameters except for O atoms, and placing Fe1 together with Bi4 into the (0, 0, 0) position with the sum of the site occupancies for these two atoms restrained to 0.5, the least-squares refinements converged to R₁ = 0.093. However, in this final result the restraint failed (disagreeable restraint), the isotropic displacement parameter for Fe1/Bi4 became large, U_eq = 0.060 (4) Ų, and the displacement parameters for P1 and P2 were non-positive definite. Difference electron densities also indicated that these atoms were displaced from the origin. The atomic positions for Fe1 and Bi4 were permitted to vary in the next cycles of refinement, but the isotropic displacement parameters were restrained to remain equal; R₁ converged to 0.0364 with a Bi4 occupancy of 0.155 (6) and an Fe1 occupancy of 0.347 (15), leading to the stoichiometry Bi_6.32Fe_0.68P₄O₂₀ or Bi₆(Bi_0.32Fe_0.68)(PO₄)₄O₄. Fig. 1 shows the unit cell with Fe1 displaced slightly from the origin; atom Bi4 that shares a nearby site has been omitted for the sake of clarity. The coordination polyhedron around this site consists of eight O atoms in a distorted cubic arrangement. The two crystallographically distinct PO₄ tetrahedra are isolated but share an edge with the oxygen coordination polyhedron around the origin. The Bi₂O₂ chains that are so characteristic of these structures (Colmont et al., 2008; Arumugam et al., 2008; Abraham et al., 2002) are present here as well. A corrugated chain of Bi₂O₂ exists in the ac plane (Fig. 2). The substitution of isovalent and aliovalent ions occurs in the Bi4 site containing the vacancies in the parent compound. If this site is completely occupied by Bi or a mixture of cations, it is likely that small oxygen variations in the stoichiometry required for charge balance occur among these O atoms.

S2. Experimental

The title compound, Bi₆(Bi_0.32Fe_0.68)(PO₄)₄O₄, was synthesized by the ceramic method by reacting a mixture of analytical grade Li₂CO₃, NH₄H₂PO₄ and Bi₂O₃ and metallic Fe in the molar ratio 3:8:6:5. Prior to use, Bi₂O₃ was dried in air at 873 K for 24 h in order to remove any moisture or carbonates associated with it. The mixture was initially heated in air at 468 K for 2 h to decompose NH₄H₂PO₄ and finally at 973 K for 12 h in alumina crucibles. The intermediate product was then ground and reheated in air at 1100 K for 1 h in a gold boat and further heated to 1173 K and annealed at that temperature for about 14 h. Greenish–yellow single crystals of this pure phase were obtained by cooling the reaction mixture from 1173 to 1073 K at a rate of 5 K h^-1 and then furnace-cooling to room temperature. The phase purity was determined from the powder diffraction pattern and is nearly 100%. A few very weak reflections barely visible above background were not indexed with the single-crystal lattice parameters.

Computing details

Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures

	Fig. 1. A view of the crystal structure of Bi6(Bi0.32Fe0.68)(PO4)4O4, along [001]. The disordered Bi4 site near the origin has been omitted for clarity.
	Fig. 2. A view of the zigzag Bi2O2 infinite chains in the ac plane.

hexabismuth iron tetraphosphate tetraoxide

Crystal data

Bi6(Bi0.32Fe0.68)(PO4)4O4	Z = 1
Mr = 1801.1	F(000) = 761.7
Triclinic, P1	Dx = 7.279 Mg m^−3
Hall symbol: -P_1	Mo Kα radiation, λ = 0.71073 Å
a = 9.2097 (18) Å	Cell parameters from 6175 reflections
b = 7.5214 (15) Å	θ = 1–27.5°
c = 6.9033 (14) Å	µ = 67.86 mm^−1
α = 112.48 (3)°	T = 293 K
β = 93.71 (3)°	Irregular, green yellow
γ = 106.95 (3)°	0.03 × 0.01 × 0.01 mm
V = 414.2 (2) Å^3

Data collection

Nonius KappaCCD diffractometer	1855 independent reflections
Radiation source: fine-focus sealed tube	1600 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.081
ϕ scans, and ω scans with κ offsets	θmax = 27.5°, θmin = 1°
Absorption correction: numerical (EUHEDRAL; Spek, 2006; de Meulenaer & Tompa, 1965)	h = −11→11
Tmin = 0.053, Tmax = 0.403	k = −9→9
6043 measured reflections	l = −8→0

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.036	w = 1/[σ^2(Fo^2) + (0.0555P)^2 + 8.9305P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.097	(Δ/σ)max < 0.001
S = 1.11	Δρmax = 4.10 e Å^−3
1600 reflections	Δρmin = −2.90 e Å^−3
96 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.0094 (5)

Special details

Experimental. Several crystals were examined on a Nonius κ automated CCD diffractometer equipped with a graphite monochromator with Mo Kα radiation, λ = 0.71079 Å. The best crystal displaying the lowest mosaicity was used for the data collection. Data reduction and scaling were performed using DENZO-SMN (Otwinowski & Minor, 1997).Details of crystal data, data collection and structure refinement are listed in Table. The structure was solved with the direct methods program SHELXS(Sheldrick, 1997) in space group P1 that yielded the heavy atom positions. Difference electron density maps revealed the phosphorus and oxygen atoms. The refinement proceeded by least squares using SHELXL (Sheldrick, 1997).

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)
Bi1	0.32548 (6)	0.30567 (7)	0.81061 (7)	0.00717 (19)
Bi2	0.08275 (6)	0.78373 (7)	0.43077 (8)	0.0137 (2)
Bi3	0.48939 (5)	0.86838 (7)	0.66292 (7)	0.00593 (19)
Bi4	0.0113 (9)	0.0042 (12)	−0.0328 (11)	0.0024 (8)*	0.155 (6)
Fe1	−0.0271 (14)	0.0018 (18)	0.0450 (19)	0.0024 (8)*	0.347 (15)
P1	0.2369 (4)	0.7360 (5)	0.9502 (5)	0.0065 (7)
P2	0.2516 (4)	0.3906 (5)	0.3369 (5)	0.0079 (7)
O1	0.1440 (11)	0.8354 (13)	1.1151 (14)	0.0077 (18)*
O2	0.2720 (12)	0.2446 (15)	0.1212 (16)	0.018 (2)*
O3	0.2381 (10)	0.8172 (13)	0.7757 (14)	0.0087 (18)*
O4	0.1031 (10)	0.0917 (13)	0.6748 (14)	0.0088 (18)*
O5	0.3117 (11)	0.6110 (14)	0.3586 (15)	0.014 (2)*
O6	0.0814 (13)	0.3243 (17)	0.3474 (18)	0.025 (2)*
O7	0.3653 (10)	0.0289 (13)	0.5526 (14)	0.0073 (17)*
O8	0.3487 (11)	0.3783 (14)	0.5198 (15)	0.0111 (19)*
O9	0.4103 (10)	0.7976 (13)	1.0523 (14)	0.0069 (17)*
O10	0.1605 (11)	0.5002 (14)	0.8541 (15)	0.013 (2)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Bi1	0.0070 (3)	0.0038 (3)	0.0061 (3)	0.00039 (19)	−0.00193 (19)	−0.00099 (19)
Bi2	0.0102 (3)	0.0043 (3)	0.0207 (3)	0.0018 (2)	0.0041 (2)	−0.0004 (2)
Bi3	0.0066 (3)	0.0040 (3)	0.0057 (3)	0.00143 (19)	0.00034 (19)	0.00103 (19)
P1	0.0093 (18)	0.0025 (14)	0.0071 (15)	0.0006 (12)	0.0022 (12)	0.0024 (12)
P2	0.0106 (18)	0.0038 (14)	0.0069 (16)	0.0006 (13)	0.0005 (13)	0.0014 (12)

Geometric parameters (Å, º)

Bi1—O4	2.083 (9)	O1—O10	2.532 (13)
Bi1—O8	2.281 (9)	O1—O9	2.595 (13)
Bi1—O7	2.310 (8)	O1—O4^xiv	2.852 (12)
Bi1—O10	2.357 (9)	O1—O2^viii	2.940 (14)
Bi1—O2^i	2.410 (10)	O1—O7^viii	3.084 (12)
Bi1—O9^ii	2.965 (9)	O2—Fe1^xi	2.332 (16)
Bi1—O9	3.242 (9)	O2—Bi1^vii	2.410 (10)
Bi1—O3^iii	3.432 (8)	O2—O6	2.476 (15)
Bi1—O5^iv	3.573 (10)	O2—O5	2.509 (14)
Bi1—Bi4^i	3.624 (7)	O2—O8	2.510 (14)
Bi1—Bi1^ii	3.648 (2)	O2—Bi4^xi	2.599 (13)
Bi1—Bi2^iii	3.679 (2)	O2—O1^xii	2.940 (14)
Bi2—O4^v	2.227 (9)	O2—O4^vii	2.977 (14)
Bi2—O4^vi	2.374 (9)	O2—Bi3^iv	3.067 (10)
Bi2—O6^vi	2.414 (11)	O3—O9	2.478 (12)
Bi2—O1^vii	2.429 (9)	O3—O10	2.556 (12)
Bi2—O7^v	2.572 (9)	O3—O7^v	2.702 (12)
Bi2—O3	2.583 (9)	O3—O6^vi	2.770 (15)
Bi2—O10^vi	2.622 (10)	O3—Fe1^vi	2.779 (15)
Bi2—O5	2.760 (9)	O3—O5	2.934 (13)
Bi2—O6	3.275 (11)	O3—Bi4^viii	2.956 (11)
Bi2—Bi4^viii	3.626 (7)	O3—O4^v	2.963 (12)
Bi2—Bi1^v	3.679 (2)	O4—Bi2^iii	2.227 (9)
Bi3—O7^v	2.177 (8)	O4—Bi2^vi	2.374 (9)
Bi3—O7^iv	2.266 (8)	O4—Fe1^xiii	2.378 (15)
Bi3—O5	2.332 (10)	O4—Bi4^i	2.477 (10)
Bi3—O9^ix	2.380 (9)	O4—O4^xiii	2.583 (18)
Bi3—O3	2.460 (9)	O4—O10	2.704 (13)
Bi3—O8^iv	2.706 (9)	O4—O7	2.718 (12)
Bi3—O9	3.026 (8)	O4—O1^xiv	2.852 (12)
Bi3—O2^iv	3.067 (10)	O4—O3^iii	2.963 (12)
Bi3—O8	3.242 (9)	O4—O2^i	2.977 (14)
Bi3—O1^ix	3.323 (9)	O4—Bi4^xiii	2.999 (11)
Bi3—Bi3^x	3.5009 (12)	O5—O8	2.492 (13)
Bi4—Fe1^xi	0.181 (18)	O5—O6	2.518 (15)
Bi4—Bi4^xi	0.528 (12)	O5—O7^v	2.776 (12)
Bi4—Fe1	0.665 (9)	O5—O9^vii	3.007 (12)
Bi4—O1^vi	2.291 (11)	O5—O8^iv	3.155 (13)
Bi4—O2	2.415 (13)	O5—O7^iv	3.218 (13)
Bi4—O1^xii	2.425 (11)	O5—O10^vii	3.352 (14)
Bi4—O6^xi	2.445 (14)	O6—Bi2^vi	2.414 (11)
Bi4—O4^vii	2.477 (10)	O6—Bi4^xi	2.445 (14)
Bi4—O2^xi	2.599 (13)	O6—O8	2.512 (15)
Bi4—O6	2.672 (13)	O6—Fe1^xi	2.763 (17)
Bi4—O3^xii	2.956 (11)	O6—O3^vi	2.770 (15)
Bi4—O4^xiii	2.999 (11)	O6—O4^xiii	3.033 (14)
Fe1—Bi4^xi	0.181 (18)	O6—O10	3.176 (14)
Fe1—Fe1^xi	0.82 (2)	O7—Bi3^iii	2.177 (8)
Fe1—O2^xi	2.332 (16)	O7—Bi3^iv	2.266 (8)
Fe1—O1^vi	2.352 (14)	O7—Bi2^iii	2.572 (9)
Fe1—O4^xiii	2.378 (15)	O7—O3^iii	2.702 (12)
Fe1—O6	2.384 (16)	O7—O7^xv	2.737 (17)
Fe1—O1^xii	2.408 (14)	O7—O8	2.769 (12)
Fe1—O2	2.710 (16)	O7—O5^iii	2.776 (12)
Fe1—O6^xi	2.763 (17)	O7—O9^ii	2.896 (13)
Fe1—O3^vi	2.779 (15)	O7—O1^xii	3.084 (12)
Fe1—O4^vii	3.110 (15)	O7—O5^iv	3.218 (13)
P1—O3	1.544 (9)	O8—Bi3^iv	2.706 (9)
P1—O10	1.547 (10)	O8—O8^iv	2.949 (18)
P1—O9	1.560 (10)	O8—O10	2.999 (13)
P1—O1	1.560 (9)	O8—O5^iv	3.155 (13)
P2—O6	1.516 (12)	O9—Bi3^ix	2.380 (9)
P2—O5	1.530 (9)	O9—O10	2.534 (14)
P2—O2	1.537 (10)	O9—O7^ii	2.896 (13)
P2—O8	1.547 (10)	O9—Bi1^ii	2.965 (9)
P2—Bi4^xi	3.078 (9)	O9—O5^i	3.007 (12)
O1—Bi4^vi	2.291 (11)	O9—O2^iv	3.286 (13)
O1—Fe1^vi	2.352 (14)	O9—O7^viii	3.337 (12)
O1—Fe1^viii	2.408 (14)	O10—Bi2^vi	2.622 (10)
O1—Bi4^viii	2.425 (11)	O10—O1^xiv	3.262 (13)
O1—Bi2^i	2.429 (9)	O10—O5^i	3.352 (14)
O1—O3	2.519 (12)	O10—O6^vi	3.371 (15)
O4—Bi1—O8	93.6 (3)	O7^v—O3—Fe1^vi	104.0 (4)
O4—Bi1—O7	76.3 (3)	O6^vi—O3—Fe1^vi	50.9 (4)
O8—Bi1—O7	74.2 (3)	P1—O3—O5	122.4 (5)
O4—Bi1—O10	74.7 (3)	Bi3—O3—O5	50.3 (3)
O8—Bi1—O10	80.6 (3)	O9—O3—O5	108.2 (4)
O7—Bi1—O10	139.9 (3)	O1—O3—O5	154.8 (4)
O4—Bi1—O2^i	82.7 (3)	O10—O3—O5	95.0 (4)
O8—Bi1—O2^i	172.4 (3)	Bi2—O3—O5	59.6 (3)
O7—Bi1—O2^i	111.1 (3)	O7^v—O3—O5	58.9 (3)
O10—Bi1—O2^i	92.0 (3)	O6^vi—O3—O5	98.5 (4)
O4—Bi1—O9^ii	123.0 (3)	Fe1^vi—O3—O5	140.8 (5)
O8—Bi1—O9^ii	112.9 (3)	P1—O3—Bi4^viii	87.3 (4)
O7—Bi1—O9^ii	65.2 (3)	Bi3—O3—Bi4^viii	147.2 (4)
O10—Bi1—O9^ii	154.8 (3)	O9—O3—Bi4^viii	110.5 (4)
O2^i—Bi1—O9^ii	74.6 (3)	O1—O3—Bi4^viii	51.9 (3)
O4—Bi1—O9	125.5 (3)	O10—O3—Bi4^viii	99.6 (4)
O8—Bi1—O9	81.8 (3)	Bi2—O3—Bi4^viii	81.5 (3)
O7—Bi1—O9	148.9 (3)	O7^v—O3—Bi4^viii	104.8 (4)
O10—Bi1—O9	50.9 (3)	O6^vi—O3—Bi4^viii	50.4 (3)
O2^i—Bi1—O9	94.9 (3)	Fe1^vi—O3—Bi4^viii	0.8 (4)
O9^ii—Bi1—O9	108.17 (19)	O5—O3—Bi4^viii	141.0 (4)
O4—Bi1—O3^iii	59.1 (3)	P1—O3—O4^v	136.5 (5)
O8—Bi1—O3^iii	122.5 (3)	Bi3—O3—O4^v	106.2 (3)
O7—Bi1—O3^iii	51.8 (2)	O9—O3—O4^v	143.9 (4)
O10—Bi1—O3^iii	127.8 (3)	O1—O3—O4^v	100.5 (4)
O2^i—Bi1—O3^iii	61.0 (3)	O10—O3—O4^v	141.1 (5)
O9^ii—Bi1—O3^iii	64.1 (2)	Bi2—O3—O4^v	46.7 (2)
O9—Bi1—O3^iii	155.7 (2)	O7^v—O3—O4^v	57.1 (3)
O4—Bi1—O5^iv	135.0 (3)	O6^vi—O3—O4^v	63.8 (3)
O8—Bi1—O5^iv	60.6 (3)	Fe1^vi—O3—O4^v	48.8 (3)
O7—Bi1—O5^iv	62.0 (3)	O5—O3—O4^v	98.9 (4)
O10—Bi1—O5^iv	128.6 (3)	Bi4^viii—O3—O4^v	49.5 (2)
O2^i—Bi1—O5^iv	126.5 (3)	Bi1—O4—Bi2^iii	117.2 (4)
O9^ii—Bi1—O5^iv	53.8 (2)	Bi1—O4—Bi2^vi	115.4 (4)
O9—Bi1—O5^iv	89.1 (2)	Bi2^iii—O4—Bi2^vi	111.8 (4)
O3^iii—Bi1—O5^iv	102.1 (2)	Bi1—O4—Fe1^xiii	103.5 (5)
O4—Bi1—Bi4^i	41.3 (3)	Bi2^iii—O4—Fe1^xiii	98.7 (4)
O8—Bi1—Bi4^i	134.4 (3)	Bi2^vi—O4—Fe1^xiii	107.9 (4)
O7—Bi1—Bi4^i	95.6 (2)	Bi1—O4—Bi4^i	105.0 (4)
O10—Bi1—Bi4^i	80.2 (3)	Bi2^iii—O4—Bi4^i	100.7 (4)
O2^i—Bi1—Bi4^i	41.4 (3)	Bi2^vi—O4—Bi4^i	104.4 (4)
O9^ii—Bi1—Bi4^i	101.6 (2)	Fe1^xiii—O4—Bi4^i	3.6 (4)
O9—Bi1—Bi4^i	115.4 (2)	Bi1—O4—O4^xiii	142.1 (6)
O3^iii—Bi1—Bi4^i	49.44 (19)	Bi2^iii—O4—O4^xiii	58.6 (3)
O5^iv—Bi1—Bi4^i	151.11 (19)	Bi2^vi—O4—O4^xiii	53.2 (3)
O4—Bi1—Bi1^ii	163.6 (2)	Fe1^xiii—O4—O4^xiii	114.4 (6)
O8—Bi1—Bi1^ii	101.0 (2)	Bi4^i—O4—O4^xiii	112.9 (5)
O7—Bi1—Bi1^ii	114.9 (2)	Bi1—O4—O10	57.3 (3)
O10—Bi1—Bi1^ii	100.1 (2)	Bi2^iii—O4—O10	159.2 (4)
O2^i—Bi1—Bi1^ii	82.0 (3)	Bi2^vi—O4—O10	61.8 (3)
O9^ii—Bi1—Bi1^ii	57.62 (17)	Fe1^xiii—O4—O10	102.1 (5)
O9—Bi1—Bi1^ii	50.55 (16)	Bi4^i—O4—O10	100.1 (4)
O3^iii—Bi1—Bi1^ii	117.08 (15)	O4^xiii—O4—O10	111.8 (5)
O5^iv—Bi1—Bi1^ii	60.38 (16)	Bi1—O4—O7	55.6 (3)
Bi4^i—Bi1—Bi1^ii	122.94 (12)	Bi2^iii—O4—O7	61.7 (3)
O4—Bi1—Bi2^iii	32.6 (2)	Bi2^vi—O4—O7	136.3 (4)
O8—Bi1—Bi2^iii	86.4 (2)	Fe1^xiii—O4—O7	115.7 (5)
O7—Bi1—Bi2^iii	43.8 (2)	Bi4^i—O4—O7	119.3 (4)
O10—Bi1—Bi2^iii	104.8 (2)	O4^xiii—O4—O7	104.8 (5)
O2^i—Bi1—Bi2^iii	93.9 (3)	O10—O4—O7	107.9 (4)
O9^ii—Bi1—Bi2^iii	97.39 (17)	Bi1—O4—O1^xiv	118.4 (4)
O9—Bi1—Bi2^iii	154.36 (16)	Bi2^iii—O4—O1^xiv	122.2 (4)
O3^iii—Bi1—Bi2^iii	42.42 (15)	Bi2^vi—O4—O1^xiv	54.5 (3)
O5^iv—Bi1—Bi2^iii	104.82 (16)	Fe1^xiii—O4—O1^xiv	53.9 (4)
Bi4^i—Bi1—Bi2^iii	59.54 (13)	Bi4^i—O4—O1^xiv	50.3 (3)
Bi1^ii—Bi1—Bi2^iii	154.92 (3)	O4^xiii—O4—O1^xiv	85.7 (5)
O4^v—Bi2—O4^vi	68.2 (4)	O10—O4—O1^xiv	71.9 (3)
O4^v—Bi2—O6^vi	81.5 (3)	O7—O4—O1^xiv	168.3 (4)
O4^vi—Bi2—O6^vi	89.6 (3)	Bi1—O4—O3^iii	83.8 (3)
O4^v—Bi2—O1^vii	105.3 (3)	Bi2^iii—O4—O3^iii	57.6 (3)
O4^vi—Bi2—O1^vii	72.8 (3)	Bi2^vi—O4—O3^iii	160.5 (4)
O6^vi—Bi2—O1^vii	156.5 (4)	Fe1^xiii—O4—O3^iii	61.6 (4)
O4^v—Bi2—O7^v	68.6 (3)	Bi4^i—O4—O3^iii	65.1 (3)
O4^vi—Bi2—O7^v	116.3 (3)	O4^xiii—O4—O3^iii	113.9 (5)
O6^vi—Bi2—O7^v	126.7 (3)	O10—O4—O3^iii	134.2 (4)
O1^vii—Bi2—O7^v	76.1 (3)	O7—O4—O3^iii	56.6 (3)
O4^v—Bi2—O3	75.6 (3)	O1^xiv—O4—O3^iii	114.7 (4)
O4^vi—Bi2—O3	139.6 (3)	Bi1—O4—O2^i	53.4 (3)
O6^vi—Bi2—O3	67.2 (3)	Bi2^iii—O4—O2^i	120.4 (4)
O1^vii—Bi2—O3	136.1 (3)	Bi2^vi—O4—O2^i	125.0 (4)
O7^v—Bi2—O3	63.2 (3)	Fe1^xiii—O4—O2^i	50.1 (4)
O4^v—Bi2—O10^vi	128.9 (3)	Bi4^i—O4—O2^i	51.6 (3)
O4^vi—Bi2—O10^vi	65.3 (3)	O4^xiii—O4—O2^i	164.4 (6)
O6^vi—Bi2—O10^vi	78.1 (3)	O10—O4—O2^i	74.1 (3)
O1^vii—Bi2—O10^vi	80.4 (3)	O7—O4—O2^i	86.1 (4)
O7^v—Bi2—O10^vi	154.2 (3)	O1^xiv—O4—O2^i	82.6 (3)
O3—Bi2—O10^vi	134.1 (3)	O3^iii—O4—O2^i	62.8 (3)
O4^v—Bi2—O5	127.6 (3)	Bi1—O4—Bi4^xiii	104.9 (4)
O4^vi—Bi2—O5	152.8 (3)	Bi2^iii—O4—Bi4^xiii	102.1 (3)
O6^vi—Bi2—O5	113.2 (3)	Bi2^vi—O4—Bi4^xiii	103.0 (3)
O1^vii—Bi2—O5	81.0 (3)	Fe1^xiii—O4—Bi4^xiii	5.1 (2)
O7^v—Bi2—O5	62.6 (3)	Bi4^i—O4—Bi4^xiii	1.6 (3)
O3—Bi2—O5	66.5 (3)	O4^xiii—O4—Bi4^xiii	112.9 (5)
O10^vi—Bi2—O5	103.5 (3)	O10—O4—Bi4^xiii	98.7 (4)
O4^v—Bi2—O6	145.8 (3)	O7—O4—Bi4^xiii	120.6 (4)
O4^vi—Bi2—O6	133.4 (3)	O1^xiv—O4—Bi4^xiii	48.9 (3)
O6^vi—Bi2—O6	73.8 (4)	O3^iii—O4—Bi4^xiii	66.7 (3)
O1^vii—Bi2—O6	106.8 (3)	O2^i—O4—Bi4^xiii	51.6 (3)
O7^v—Bi2—O6	108.3 (3)	P2—O5—Bi3	120.1 (5)
O3—Bi2—O6	73.2 (3)	P2—O5—O8	36.2 (3)
O10^vi—Bi2—O6	68.7 (3)	Bi3—O5—O8	84.4 (4)
O5—Bi2—O6	48.4 (3)	P2—O5—O2	35.2 (3)
O4^v—Bi2—Bi4^viii	42.1 (2)	Bi3—O5—O2	135.9 (5)
O4^vi—Bi2—Bi4^viii	86.7 (2)	O8—O5—O2	60.2 (4)
O6^vi—Bi2—Bi4^viii	42.0 (3)	P2—O5—O6	34.1 (4)
O1^vii—Bi2—Bi4^viii	147.1 (2)	Bi3—O5—O6	126.6 (5)
O7^v—Bi2—Bi4^viii	91.1 (2)	O8—O5—O6	60.2 (4)
O3—Bi2—Bi4^viii	53.7 (2)	O2—O5—O6	59.0 (4)
O10^vi—Bi2—Bi4^viii	114.6 (2)	P2—O5—Bi2	110.6 (5)
O5—Bi2—Bi4^viii	120.1 (2)	Bi3—O5—Bi2	94.4 (3)
O6—Bi2—Bi4^viii	106.0 (2)	O8—O5—Bi2	122.8 (4)
O4^v—Bi2—Bi1^v	30.2 (2)	O2—O5—Bi2	125.8 (4)
O4^vi—Bi2—Bi1^v	91.1 (2)	O6—O5—Bi2	76.6 (4)
O6^vi—Bi2—Bi1^v	101.3 (3)	P2—O5—O7^v	155.2 (6)
O1^vii—Bi2—Bi1^v	94.7 (2)	Bi3—O5—O7^v	49.5 (3)
O7^v—Bi2—Bi1^v	38.47 (19)	O8—O5—O7^v	129.6 (5)
O3—Bi2—Bi1^v	63.67 (19)	O2—O5—O7^v	169.2 (5)
O10^vi—Bi2—Bi1^v	156.3 (2)	O6—O5—O7^v	127.9 (5)
O5—Bi2—Bi1^v	98.5 (2)	Bi2—O5—O7^v	55.4 (3)
O6—Bi2—Bi1^v	134.3 (2)	P2—O5—O3	98.9 (5)
Bi4^viii—Bi2—Bi1^v	59.48 (13)	Bi3—O5—O3	54.3 (3)
O7^v—Bi3—O7^iv	76.0 (4)	O8—O5—O3	82.0 (4)
O7^v—Bi3—O5	75.9 (3)	O2—O5—O3	134.1 (5)
O7^iv—Bi3—O5	88.8 (3)	O6—O5—O3	80.5 (4)
O7^v—Bi3—O9^ix	78.8 (3)	Bi2—O5—O3	53.9 (2)
O7^iv—Bi3—O9^ix	91.8 (3)	O7^v—O5—O3	56.4 (3)
O5—Bi3—O9^ix	153.8 (3)	P2—O5—O9^vii	133.6 (5)
O7^v—Bi3—O3	71.0 (3)	Bi3—O5—O9^vii	97.2 (4)
O7^iv—Bi3—O3	146.0 (3)	O8—O5—O9^vii	146.0 (5)
O5—Bi3—O3	75.4 (3)	O2—O5—O9^vii	98.8 (4)
O9^ix—Bi3—O3	89.9 (3)	O6—O5—O9^vii	134.8 (5)
O7^v—Bi3—O8^iv	134.2 (3)	Bi2—O5—O9^vii	91.1 (3)
O7^iv—Bi3—O8^iv	67.0 (3)	O7^v—O5—O9^vii	70.4 (3)
O5—Bi3—O8^iv	77.2 (3)	O3—O5—O9^vii	126.2 (4)
O9^ix—Bi3—O8^iv	126.9 (3)	P2—O5—O8^iv	88.4 (4)
O3—Bi3—O8^iv	134.9 (3)	Bi3—O5—O8^iv	56.7 (3)
O7^v—Bi3—O9	117.2 (3)	O8—O5—O8^iv	61.7 (4)
O7^iv—Bi3—O9	159.2 (3)	O2—O5—O8^iv	82.3 (4)
O5—Bi3—O9	109.4 (3)	O6—O5—O8^iv	120.5 (4)
O9^ix—Bi3—O9	76.3 (3)	Bi2—O5—O8^iv	151.1 (4)
O3—Bi3—O9	52.5 (3)	O7^v—O5—O8^iv	98.5 (4)
O8^iv—Bi3—O9	106.5 (2)	O3—O5—O8^iv	103.1 (4)
O7^v—Bi3—O2^iv	164.9 (3)	O9^vii—O5—O8^iv	90.8 (3)
O7^iv—Bi3—O2^iv	97.8 (3)	P2—O5—O7^iv	139.7 (5)
O5—Bi3—O2^iv	118.1 (3)	Bi3—O5—O7^iv	44.7 (2)
O9^ix—Bi3—O2^iv	87.8 (3)	O8—O5—O7^iv	110.2 (4)
O3—Bi3—O2^iv	116.3 (3)	O2—O5—O7^iv	121.4 (4)
O8^iv—Bi3—O2^iv	51.1 (3)	O6—O5—O7^iv	169.5 (5)
O9—Bi3—O2^iv	65.3 (3)	Bi2—O5—O7^iv	108.0 (3)
O7^v—Bi3—O8	122.0 (3)	O7^v—O5—O7^iv	53.7 (3)
O7^iv—Bi3—O8	116.1 (3)	O3—O5—O7^iv	94.4 (4)
O5—Bi3—O8	49.9 (3)	O9^vii—O5—O7^iv	55.3 (3)
O9^ix—Bi3—O8	147.6 (3)	O8^iv—O5—O7^iv	51.5 (3)
O3—Bi3—O8	76.3 (3)	P2—O5—O10^vii	95.9 (5)
O8^iv—Bi3—O8	58.6 (3)	Bi3—O5—O10^vii	142.7 (4)
O9—Bi3—O8	72.0 (2)	O8—O5—O10^vii	129.5 (4)
O2^iv—Bi3—O8	73.1 (3)	O2—O5—O10^vii	70.0 (4)
O7^v—Bi3—O1^ix	110.7 (3)	O6—O5—O10^vii	88.3 (4)
O7^iv—Bi3—O1^ix	63.7 (3)	Bi2—O5—O10^vii	80.1 (3)
O5—Bi3—O1^ix	147.6 (3)	O7^v—O5—O10^vii	100.7 (4)
O9^ix—Bi3—O1^ix	50.9 (3)	O3—O5—O10^vii	133.9 (4)
O3—Bi3—O1^ix	136.9 (3)	O9^vii—O5—O10^vii	46.6 (3)
O8^iv—Bi3—O1^ix	76.4 (3)	O8^iv—O5—O10^vii	120.7 (4)
O9—Bi3—O1^ix	95.8 (2)	O7^iv—O5—O10^vii	101.7 (3)
O2^iv—Bi3—O1^ix	54.6 (3)	P2—O6—Fe1	103.4 (6)
O8—Bi3—O1^ix	125.7 (2)	P2—O6—Bi2^vi	139.2 (7)
O7^v—Bi3—Bi3^x	38.9 (2)	Fe1—O6—Bi2^vi	93.5 (5)
O7^iv—Bi3—Bi3^x	37.1 (2)	P2—O6—Bi4^xi	99.3 (6)
O5—Bi3—Bi3^x	80.5 (2)	Fe1—O6—Bi4^xi	4.1 (4)
O9^ix—Bi3—Bi3^x	84.2 (2)	Bi2^vi—O6—Bi4^xi	96.6 (4)
O3—Bi3—Bi3^x	109.5 (2)	P2—O6—O2	36.1 (4)
O8^iv—Bi3—Bi3^x	100.39 (19)	Fe1—O6—O2	67.8 (5)
O9—Bi3—Bi3^x	152.81 (16)	Bi2^vi—O6—O2	144.5 (5)
O2^iv—Bi3—Bi3^x	133.45 (19)	Bi4^xi—O6—O2	63.8 (4)
O8—Bi3—Bi3^x	127.89 (17)	P2—O6—O8	35.3 (4)
O1^ix—Bi3—Bi3^x	86.17 (15)	Fe1—O6—O8	111.9 (5)
Fe1^xi—Bi4—Bi4^xi	133 (7)	Bi2^vi—O6—O8	104.0 (5)
Fe1^xi—Bi4—Fe1	145 (5)	Bi4^xi—O6—O8	108.4 (5)
Bi4^xi—Bi4—Fe1	11.5 (18)	O2—O6—O8	60.4 (4)
Fe1^xi—Bi4—O1^vi	128 (6)	P2—O6—O5	34.4 (3)
Bi4^xi—Bi4—O1^vi	98.4 (17)	Fe1—O6—O5	123.4 (6)
Fe1—Bi4—O1^vi	86.9 (7)	Bi2^vi—O6—O5	142.6 (5)
Fe1^xi—Bi4—O2	61 (6)	Bi4^xi—O6—O5	120.0 (5)
Bi4^xi—Bi4—O2	104.7 (18)	O2—O6—O5	60.3 (4)
Fe1—Bi4—O2	109.5 (5)	O8—O6—O5	59.4 (4)
O1^vi—Bi4—O2	109.6 (4)	P2—O6—Bi4	91.9 (5)
Fe1^xi—Bi4—O1^xii	64 (5)	Fe1—O6—Bi4	13.6 (2)
Bi4^xi—Bi4—O1^xii	69.2 (16)	Bi2^vi—O6—Bi4	107.1 (4)
Fe1—Bi4—O1^xii	80.6 (6)	Bi4^xi—O6—Bi4	10.7 (3)
O1^vi—Bi4—O1^xii	167.6 (3)	O2—O6—Bi4	55.8 (4)
O2—Bi4—O1^xii	74.8 (4)	O8—O6—Bi4	106.6 (5)
Fe1^xi—Bi4—O6^xi	68 (6)	O5—O6—Bi4	109.7 (5)
Bi4^xi—Bi4—O6^xi	110.1 (18)	P2—O6—Fe1^xi	88.6 (5)
Fe1—Bi4—O6^xi	111.9 (5)	Fe1—O6—Fe1^xi	16.3 (5)
O1^vi—Bi4—O6^xi	100.5 (4)	Bi2^vi—O6—Fe1^xi	109.4 (5)
O2—Bi4—O6^xi	129.4 (5)	Bi4^xi—O6—Fe1^xi	12.92 (18)
O1^xii—Bi4—O6^xi	84.4 (4)	O2—O6—Fe1^xi	52.5 (4)
Fe1^xi—Bi4—O4^vii	55 (5)	O8—O6—Fe1^xi	103.5 (5)
Bi4^xi—Bi4—O4^vii	170.8 (18)	O5—O6—Fe1^xi	107.1 (5)
Fe1—Bi4—O4^vii	160.0 (6)	Bi4—O6—Fe1^xi	3.3 (4)
O1^vi—Bi4—O4^vii	73.3 (3)	P2—O6—O3^vi	160.7 (7)
O2—Bi4—O4^vii	75.0 (4)	Fe1—O6—O3^vi	64.8 (4)
O1^xii—Bi4—O4^vii	119.1 (4)	Bi2^vi—O6—O3^vi	59.3 (3)
O6^xi—Bi4—O4^vii	76.1 (4)	Bi4^xi—O6—O3^vi	68.7 (4)
Fe1^xi—Bi4—O2^xi	126 (6)	O2—O6—O3^vi	127.8 (5)
Bi4^xi—Bi4—O2^xi	64.0 (17)	O8—O6—O3^vi	161.5 (5)
Fe1—Bi4—O2^xi	59.4 (6)	O5—O6—O3^vi	138.6 (5)
O1^vi—Bi4—O2^xi	73.6 (4)	Bi4—O6—O3^vi	74.0 (4)
O2—Bi4—O2^xi	168.7 (3)	Fe1^xi—O6—O3^vi	77.3 (4)
O1^xii—Bi4—O2^xi	99.9 (4)	P2—O6—O4^xiii	124.2 (6)
O6^xi—Bi4—O2^xi	58.7 (4)	Fe1—O6—O4^xiii	50.3 (4)
O4^vii—Bi4—O2^xi	116.2 (4)	Bi2^vi—O6—O4^xiii	46.6 (3)
Fe1^xi—Bi4—O6	118 (6)	Bi4^xi—O6—O4^xiii	52.4 (3)
Bi4^xi—Bi4—O6	59.2 (17)	O2—O6—O4^xiii	102.5 (5)
Fe1—Bi4—O6	57.7 (6)	O8—O6—O4^xiii	102.0 (4)
O1^vi—Bi4—O6	82.1 (4)	O5—O6—O4^xiii	158.6 (5)
O2—Bi4—O6	58.0 (4)	Bi4—O6—O4^xiii	63.1 (3)
O1^xii—Bi4—O6	91.1 (4)	Fe1^xi—O6—O4^xiii	64.7 (4)
O6^xi—Bi4—O6	169.3 (3)	O3^vi—O6—O4^xiii	61.2 (3)
O4^vii—Bi4—O6	114.5 (4)	P2—O6—O10	91.7 (5)
O2^xi—Bi4—O6	112.9 (4)	Fe1—O6—O10	139.0 (5)
Fe1^xi—Bi4—O3^xii	13 (6)	Bi2^vi—O6—O10	53.9 (3)
Bi4^xi—Bi4—O3^xii	123.4 (17)	Bi4^xi—O6—O10	139.8 (5)
Fe1—Bi4—O3^xii	134.6 (6)	O2—O6—O10	122.8 (5)
O1^vi—Bi4—O3^xii	137.5 (4)	O8—O6—O10	62.4 (4)
O2—Bi4—O3^xii	69.5 (3)	O5—O6—O10	90.1 (4)
O1^xii—Bi4—O3^xii	54.8 (3)	Bi4—O6—O10	148.8 (5)
O6^xi—Bi4—O3^xii	60.9 (4)	Fe1^xi—O6—O10	148.5 (5)
O4^vii—Bi4—O3^xii	65.4 (3)	O3^vi—O6—O10	107.2 (4)
O2^xi—Bi4—O3^xii	115.9 (4)	O4^xiii—O6—O10	89.6 (4)
O6—Bi4—O3^xii	123.7 (4)	Bi3^iii—O7—Bi3^iv	104.0 (4)
Fe1^xi—Bi4—O4^xiii	126 (6)	Bi3^iii—O7—Bi1	117.2 (4)
Bi4^xi—Bi4—O4^xiii	7.6 (15)	Bi3^iv—O7—Bi1	110.0 (3)
Fe1—Bi4—O4^xiii	18.5 (7)	Bi3^iii—O7—Bi2^iii	104.0 (3)
O1^vi—Bi4—O4^xiii	105.2 (4)	Bi3^iv—O7—Bi2^iii	124.8 (4)
O2—Bi4—O4^xiii	105.0 (4)	Bi1—O7—Bi2^iii	97.7 (3)
O1^xii—Bi4—O4^xiii	62.4 (3)	Bi3^iii—O7—O3^iii	59.4 (3)
O6^xi—Bi4—O4^xiii	105.0 (4)	Bi3^iv—O7—O3^iii	161.6 (4)
O4^vii—Bi4—O4^xiii	178.4 (3)	Bi1—O7—O3^iii	86.1 (3)
O2^xi—Bi4—O4^xiii	63.8 (3)	Bi2^iii—O7—O3^iii	58.6 (3)
O6—Bi4—O4^xiii	64.4 (3)	Bi3^iii—O7—O4	124.9 (4)
O3^xii—Bi4—O4^xiii	116.1 (3)	Bi3^iv—O7—O4	131.1 (4)
Bi4^xi—Fe1—Bi4	35 (5)	Bi1—O7—O4	48.1 (3)
Bi4^xi—Fe1—Fe1^xi	28 (4)	Bi2^iii—O7—O4	49.7 (2)
Bi4—Fe1—Fe1^xi	7.4 (12)	O3^iii—O7—O4	66.3 (3)
Bi4^xi—Fe1—O2^xi	115 (6)	Bi3^iii—O7—O7^xv	53.5 (3)
Bi4—Fe1—O2^xi	106.4 (7)	Bi3^iv—O7—O7^xv	50.5 (3)
Fe1^xi—Fe1—O2^xi	108.8 (18)	Bi1—O7—O7^xv	130.3 (5)
Bi4^xi—Fe1—O1^vi	112 (6)	Bi2^iii—O7—O7^xv	131.7 (5)
Bi4—Fe1—O1^vi	76.7 (6)	O3^iii—O7—O7^xv	112.4 (5)
Fe1^xi—Fe1—O1^vi	84.0 (16)	O4—O7—O7^xv	177.6 (6)
O2^xi—Fe1—O1^vi	77.7 (5)	Bi3^iii—O7—O8	151.5 (4)
Bi4^xi—Fe1—O4^xiii	121 (6)	Bi3^iv—O7—O8	64.1 (3)
Bi4—Fe1—O4^xiii	156.4 (9)	Bi1—O7—O8	52.4 (3)
Fe1^xi—Fe1—O4^xiii	149.2 (18)	Bi2^iii—O7—O8	103.9 (3)
O2^xi—Fe1—O4^xiii	78.4 (5)	O3^iii—O7—O8	134.2 (4)
O1^vi—Fe1—O4^xiii	126.6 (6)	O4—O7—O8	70.9 (3)
Bi4^xi—Fe1—O6	108 (6)	O7^xv—O7—O8	109.7 (5)
Bi4—Fe1—O6	108.7 (7)	Bi3^iii—O7—O5^iii	54.6 (3)
Fe1^xi—Fe1—O6	109.1 (18)	Bi3^iv—O7—O5^iii	99.9 (4)
O2^xi—Fe1—O6	137.3 (7)	Bi1—O7—O5^iii	150.0 (4)
O1^vi—Fe1—O6	87.4 (5)	Bi2^iii—O7—O5^iii	62.0 (3)
O4^xiii—Fe1—O6	79.2 (5)	O3^iii—O7—O5^iii	64.7 (3)
Bi4^xi—Fe1—O1^xii	48 (5)	O4—O7—O5^iii	109.3 (4)
Bi4—Fe1—O1^xii	83.6 (7)	O7^xv—O7—O5^iii	71.4 (4)
Fe1^xi—Fe1—O1^xii	76.2 (15)	O8—O7—O5^iii	149.0 (4)
O2^xi—Fe1—O1^xii	108.5 (6)	Bi3^iii—O7—O9^ii	53.7 (3)
O1^vi—Fe1—O1^xii	160.2 (6)	Bi3^iv—O7—O9^ii	102.0 (4)
O4^xiii—Fe1—O1^xii	73.1 (4)	Bi1—O7—O9^ii	68.4 (3)
O6—Fe1—O1^xii	99.0 (5)	Bi2^iii—O7—O9^ii	132.8 (4)
Bi4^xi—Fe1—O2	51 (6)	O3^iii—O7—O9^ii	75.2 (3)
Bi4—Fe1—O2	57.1 (5)	O4—O7—O9^ii	105.0 (4)
Fe1^xi—Fe1—O2	54.5 (16)	O7^xv—O7—O9^ii	72.6 (4)
O2^xi—Fe1—O2	163.4 (6)	O8—O7—O9^ii	101.5 (4)
O1^vi—Fe1—O2	98.7 (5)	O5^iii—O7—O9^ii	108.0 (4)
O4^xiii—Fe1—O2	115.6 (5)	Bi3^iii—O7—O1^xii	124.0 (4)
O6—Fe1—O2	57.7 (4)	Bi3^iv—O7—O1^xii	75.1 (3)
O1^xii—Fe1—O2	69.8 (4)	Bi1—O7—O1^xii	115.1 (4)
Bi4^xi—Fe1—O6^xi	59 (6)	Bi2^iii—O7—O1^xii	49.9 (2)
Bi4—Fe1—O6^xi	55.2 (5)	O3^iii—O7—O1^xii	106.7 (4)
Fe1^xi—Fe1—O6^xi	54.6 (16)	O4—O7—O1^xii	79.0 (3)
O2^xi—Fe1—O6^xi	57.4 (4)	O7^xv—O7—O1^xii	103.4 (5)
O1^vi—Fe1—O6^xi	90.5 (5)	O8—O7—O1^xii	79.8 (3)
O4^xiii—Fe1—O6^xi	114.7 (5)	O5^iii—O7—O1^xii	70.2 (3)
O6—Fe1—O6^xi	163.7 (5)	O9^ii—O7—O1^xii	176.0 (4)
O1^xii—Fe1—O6^xi	78.2 (4)	Bi3^iii—O7—O5^iv	89.6 (3)
O2—Fe1—O6^xi	106.8 (5)	Bi3^iv—O7—O5^iv	46.4 (2)
Bi4^xi—Fe1—O3^vi	166 (6)	Bi1—O7—O5^iv	78.7 (3)
Bi4—Fe1—O3^vi	133.9 (8)	Bi2^iii—O7—O5^iv	166.0 (4)
Fe1^xi—Fe1—O3^vi	141.1 (17)	O3^iii—O7—O5^iv	133.8 (4)
O2^xi—Fe1—O3^vi	73.9 (4)	O4—O7—O5^iv	124.4 (4)
O1^vi—Fe1—O3^vi	58.1 (4)	O7^xv—O7—O5^iv	54.8 (3)
O4^xiii—Fe1—O3^vi	69.6 (4)	O8—O7—O5^iv	63.1 (3)
O6—Fe1—O3^vi	64.4 (4)	O5^iii—O7—O5^iv	126.3 (3)
O1^xii—Fe1—O3^vi	141.4 (6)	O9^ii—O7—O5^iv	58.6 (3)
O2—Fe1—O3^vi	118.3 (5)	O1^xii—O7—O5^iv	119.3 (4)
O6^xi—Fe1—O3^vi	127.2 (5)	P2—O8—Bi1	141.6 (6)
Bi4^xi—Fe1—O4^vii	51 (5)	P2—O8—O5	35.7 (3)
Bi4—Fe1—O4^vii	15.8 (5)	Bi1—O8—O5	144.2 (5)
Fe1^xi—Fe1—O4^vii	23.1 (14)	P2—O8—O2	35.4 (3)
O2^xi—Fe1—O4^vii	103.8 (5)	Bi1—O8—O2	146.1 (5)
O1^vi—Fe1—O4^vii	61.1 (4)	O5—O8—O2	60.2 (4)
O4^xiii—Fe1—O4^vii	172.2 (5)	P2—O8—O6	34.5 (4)
O6—Fe1—O4^vii	103.3 (5)	Bi1—O8—O6	107.2 (4)
O1^xii—Fe1—O4^vii	99.1 (5)	O5—O8—O6	60.4 (4)
O2—Fe1—O4^vii	61.1 (4)	O2—O8—O6	59.1 (4)
O6^xi—Fe1—O4^vii	61.9 (4)	P2—O8—Bi3^iv	107.2 (4)
O3^vi—Fe1—O4^vii	118.1 (4)	Bi1—O8—Bi3^iv	97.1 (3)
O3—P1—O10	111.6 (5)	O5—O8—Bi3^iv	118.0 (4)
O3—P1—O9	105.9 (5)	O2—O8—Bi3^iv	71.9 (3)
O10—P1—O9	109.3 (5)	O6—O8—Bi3^iv	123.0 (4)
O3—P1—O1	108.4 (5)	P2—O8—O7	127.5 (5)
O10—P1—O1	109.1 (5)	Bi1—O8—O7	53.4 (3)
O9—P1—O1	112.5 (5)	O5—O8—O7	160.4 (5)
O6—P2—O5	111.5 (6)	O2—O8—O7	100.2 (4)
O6—P2—O2	108.4 (6)	O6—O8—O7	111.6 (4)
O5—P2—O2	109.8 (5)	Bi3^iv—O8—O7	48.9 (2)
O6—P2—O8	110.2 (6)	P2—O8—O8^iv	95.9 (5)
O5—P2—O8	108.1 (6)	Bi1—O8—O8^iv	120.5 (5)
O2—P2—O8	108.9 (5)	O5—O8—O8^iv	70.3 (4)
O6—P2—Bi4^xi	51.6 (4)	O2—O8—O8^iv	86.6 (5)
O5—P2—Bi4^xi	135.0 (4)	O6—O8—O8^iv	129.1 (6)
O2—P2—Bi4^xi	57.5 (4)	Bi3^iv—O8—O8^iv	69.8 (3)
O8—P2—Bi4^xi	116.9 (4)	O7—O8—O8^iv	110.6 (5)
O6—P2—Bi4	59.0 (4)	P2—O8—O10	97.9 (5)
O5—P2—Bi4	128.8 (4)	Bi1—O8—O10	50.8 (3)
O2—P2—Bi4	49.4 (4)	O5—O8—O10	94.8 (4)
O8—P2—Bi4	122.5 (4)	O2—O8—O10	128.8 (5)
Bi4^xi—P2—Bi4	9.8 (2)	O6—O8—O10	69.7 (4)
P1—O1—Bi4^vi	120.3 (5)	Bi3^iv—O8—O10	147.1 (4)
P1—O1—Fe1^vi	104.5 (5)	O7—O8—O10	98.8 (4)
Bi4^vi—O1—Fe1^vi	16.4 (2)	O8^iv—O8—O10	129.0 (5)
P1—O1—Fe1^viii	123.5 (6)	P2—O8—O5^iv	137.5 (5)
Bi4^vi—O1—Fe1^viii	3.4 (4)	Bi1—O8—O5^iv	80.4 (3)
Fe1^vi—O1—Fe1^viii	19.8 (6)	O5—O8—O5^iv	118.3 (4)
P1—O1—Bi4^viii	108.3 (5)	O2—O8—O5^iv	109.7 (4)
Bi4^vi—O1—Bi4^viii	12.4 (3)	O6—O8—O5^iv	168.3 (5)
Fe1^vi—O1—Bi4^viii	4.0 (4)	Bi3^iv—O8—O5^iv	46.1 (2)
Fe1^viii—O1—Bi4^viii	15.8 (2)	O7—O8—O5^iv	65.4 (3)
P1—O1—Bi2^i	129.4 (5)	O8^iv—O8—O5^iv	48.0 (3)
Bi4^vi—O1—Bi2^i	108.6 (4)	O10—O8—O5^iv	121.5 (4)
Fe1^vi—O1—Bi2^i	124.9 (5)	P2—O8—O4	104.5 (5)
Fe1^viii—O1—Bi2^i	105.2 (4)	Bi1—O8—O4	40.7 (2)
Bi4^viii—O1—Bi2^i	121.0 (4)	O5—O8—O4	129.3 (4)
P1—O1—O3	35.6 (3)	O2—O8—O4	108.2 (4)
Bi4^vi—O1—O3	85.7 (4)	O6—O8—O4	71.5 (4)
Fe1^vi—O1—O3	69.5 (4)	Bi3^iv—O8—O4	100.6 (3)
Fe1^viii—O1—O3	89.0 (4)	O7—O8—O4	53.8 (3)
Bi4^viii—O1—O3	73.4 (3)	O8^iv—O8—O4	159.4 (5)
Bi2^i—O1—O3	165.0 (4)	O10—O8—O4	51.7 (3)
P1—O1—O10	35.3 (3)	O5^iv—O8—O4	112.0 (3)
Bi4^vi—O1—O10	123.7 (5)	P2—O8—Bi3	81.2 (4)
Fe1^vi—O1—O10	114.2 (5)	Bi1—O8—Bi3	111.0 (3)
Fe1^viii—O1—O10	125.3 (5)	O5—O8—Bi3	45.7 (3)
Bi4^viii—O1—O10	116.6 (4)	O2—O8—Bi3	101.8 (4)
Bi2^i—O1—O10	105.9 (4)	O6—O8—Bi3	96.9 (4)
O3—O1—O10	60.8 (3)	Bi3^iv—O8—Bi3	121.4 (3)
P1—O1—O9	33.7 (3)	O7—O8—Bi3	150.2 (4)
Bi4^vi—O1—O9	137.7 (4)	O8^iv—O8—Bi3	51.6 (3)
Fe1^vi—O1—O9	122.1 (5)	O10—O8—Bi3	82.6 (3)
Fe1^viii—O1—O9	140.9 (5)	O5^iv—O8—Bi3	88.3 (3)
Bi4^viii—O1—O9	126.0 (4)	O4—O8—Bi3	134.3 (3)
Bi2^i—O1—O9	110.2 (4)	P1—O9—Bi3^ix	113.2 (5)
O3—O1—O9	57.9 (3)	P1—O9—O3	36.8 (3)
O10—O1—O9	59.2 (4)	Bi3^ix—O9—O3	106.6 (4)
P1—O1—O4^xiv	162.2 (6)	P1—O9—O10	35.2 (3)
Bi4^vi—O1—O4^xiv	56.3 (3)	Bi3^ix—O9—O10	142.4 (4)
Fe1^vi—O1—O4^xiv	72.7 (4)	O3—O9—O10	61.3 (4)
Fe1^viii—O1—O4^xiv	52.9 (4)	P1—O9—O1	33.8 (3)
Bi4^viii—O1—O4^xiv	68.7 (3)	Bi3^ix—O9—O1	83.7 (3)
Bi2^i—O1—O4^xiv	52.7 (2)	O3—O9—O1	59.5 (3)
O3—O1—O4^xiv	140.4 (4)	O10—O9—O1	59.2 (4)
O10—O1—O4^xiv	129.0 (4)	P1—O9—O7^ii	145.6 (5)
O9—O1—O4^xiv	160.9 (5)	Bi3^ix—O9—O7^ii	47.5 (2)
P1—O1—O2^viii	95.2 (5)	O3—O9—O7^ii	153.9 (4)
Bi4^vi—O1—O2^viii	58.0 (3)	O10—O9—O7^ii	139.4 (4)
Fe1^vi—O1—O2^viii	50.8 (4)	O1—O9—O7^ii	112.6 (4)
Fe1^viii—O1—O2^viii	59.9 (4)	P1—O9—Bi1^ii	151.3 (5)
Bi4^viii—O1—O2^viii	52.4 (3)	Bi3^ix—O9—Bi1^ii	90.9 (3)
Bi2^i—O1—O2^viii	122.7 (4)	O3—O9—Bi1^ii	151.7 (4)
O3—O1—O2^viii	68.6 (4)	O10—O9—Bi1^ii	116.3 (4)
O10—O1—O2^viii	128.5 (5)	O1—O9—Bi1^ii	146.7 (4)
O9—O1—O2^viii	86.7 (4)	O7^ii—O9—Bi1^ii	46.4 (2)
O4^xiv—O1—O2^viii	96.2 (4)	P1—O9—O5^i	89.9 (4)
P1—O1—O7^viii	104.7 (5)	Bi3^ix—O9—O5^i	91.2 (3)
Bi4^vi—O1—O7^viii	121.7 (4)	O3—O9—O5^i	126.7 (4)
Fe1^vi—O1—O7^viii	128.0 (5)	O10—O9—O5^i	73.9 (4)
Fe1^viii—O1—O7^viii	120.2 (5)	O1—O9—O5^i	73.8 (3)
Bi4^viii—O1—O7^viii	126.9 (4)	O7^ii—O9—O5^i	66.0 (3)
Bi2^i—O1—O7^viii	54.0 (2)	Bi1^ii—O9—O5^i	73.5 (3)
O3—O1—O7^viii	122.7 (4)	P1—O9—Bi3	86.9 (4)
O10—O1—O7^viii	114.6 (4)	Bi3^ix—O9—Bi3	103.7 (3)
O9—O1—O7^viii	71.4 (3)	O3—O9—Bi3	51.9 (3)
O4^xiv—O1—O7^viii	90.0 (4)	O10—O9—Bi3	95.3 (3)
O2^viii—O1—O7^viii	84.5 (4)	O1—O9—Bi3	110.3 (4)
P2—O2—Fe1^xi	105.5 (6)	O7^ii—O9—Bi3	122.5 (3)
P2—O2—Bi1^vii	129.3 (6)	Bi1^ii—O9—Bi3	103.0 (3)
Fe1^xi—O2—Bi1^vii	95.4 (5)	O5^i—O9—Bi3	164.8 (4)
P2—O2—Bi4	101.7 (5)	P1—O9—Bi1	80.8 (4)
Fe1^xi—O2—Bi4	3.9 (4)	Bi3^ix—O9—Bi1	157.8 (4)
Bi1^vii—O2—Bi4	97.4 (4)	O3—O9—Bi1	94.8 (3)
P2—O2—O6	35.5 (4)	O10—O9—Bi1	46.2 (3)
Fe1^xi—O2—O6	70.1 (5)	O1—O9—Bi1	103.0 (3)
Bi1^vii—O2—O6	130.3 (5)	O7^ii—O9—Bi1	111.3 (3)
Bi4—O2—O6	66.2 (4)	Bi1^ii—O9—Bi1	71.83 (19)
P2—O2—O5	35.0 (3)	O5^i—O9—Bi1	70.9 (3)
Fe1^xi—O2—O5	122.7 (6)	Bi3—O9—Bi1	93.9 (2)
Bi1^vii—O2—O5	95.1 (4)	P1—O9—O2^iv	136.5 (5)
Bi4—O2—O5	119.1 (5)	Bi3^ix—O9—O2^iv	100.4 (4)
O6—O2—O5	60.7 (4)	O3—O9—O2^iv	108.6 (4)
P2—O2—O8	35.7 (3)	O10—O9—O2^iv	117.1 (4)
Fe1^xi—O2—O8	117.8 (5)	O1—O9—O2^iv	168.1 (4)
Bi1^vii—O2—O8	145.4 (5)	O7^ii—O9—O2^iv	77.8 (3)
Bi4—O2—O8	115.2 (5)	Bi1^ii—O9—O2^iv	45.0 (2)
O6—O2—O8	60.5 (4)	O5^i—O9—O2^iv	117.0 (4)
O5—O2—O8	59.5 (4)	Bi3—O9—O2^iv	58.0 (2)
P2—O2—Bi4^xi	92.5 (5)	Bi1—O9—O2^iv	77.4 (3)
Fe1^xi—O2—Bi4^xi	14.2 (2)	P1—O9—O7^viii	94.5 (4)
Bi1^vii—O2—Bi4^xi	108.5 (4)	Bi3^ix—O9—O7^viii	42.7 (2)
Bi4—O2—Bi4^xi	11.3 (3)	O3—O9—O7^viii	114.9 (4)
O6—O2—Bi4^xi	57.5 (4)	O10—O9—O7^viii	106.7 (4)
O5—O2—Bi4^xi	114.5 (5)	O1—O9—O7^viii	61.1 (3)
O8—O2—Bi4^xi	103.8 (4)	O7^ii—O9—O7^viii	51.5 (3)
P2—O2—Fe1	89.6 (5)	Bi1^ii—O9—O7^viii	93.1 (3)
Fe1^xi—O2—Fe1	16.6 (6)	O5^i—O9—O7^viii	51.6 (3)
Bi1^vii—O2—Fe1	109.7 (5)	Bi3—O9—O7^viii	143.5 (3)
Bi4—O2—Fe1	13.38 (18)	Bi1—O9—O7^viii	122.4 (3)
O6—O2—Fe1	54.5 (4)	O2^iv—O9—O7^viii	128.9 (4)
O5—O2—Fe1	111.5 (5)	P1—O10—Bi1	117.6 (5)
O8—O2—Fe1	101.9 (5)	P1—O10—O1	35.6 (3)
Bi4^xi—O2—Fe1	3.1 (4)	Bi1—O10—O1	139.3 (5)
P2—O2—O1^xii	104.5 (5)	P1—O10—O9	35.5 (3)
Fe1^xi—O2—O1^xii	51.4 (4)	Bi1—O10—O9	83.0 (4)
Bi1^vii—O2—O1^xii	124.2 (5)	O1—O10—O9	61.6 (4)
Bi4—O2—O1^xii	52.8 (3)	P1—O10—O3	34.2 (3)
O6—O2—O1^xii	84.1 (4)	Bi1—O10—O3	119.4 (4)
O5—O2—O1^xii	139.5 (5)	O1—O10—O3	59.3 (3)
O8—O2—O1^xii	86.9 (4)	O9—O10—O3	58.3 (3)
Bi4^xi—O2—O1^xii	48.4 (3)	P1—O10—Bi2^vi	137.9 (5)
Fe1—O2—O1^xii	50.3 (4)	Bi1—O10—Bi2^vi	98.3 (3)
P2—O2—O4^vii	132.0 (6)	O1—O10—Bi2^vi	121.1 (4)
Fe1^xi—O2—O4^vii	51.5 (4)	O9—O10—Bi2^vi	165.7 (4)
Bi1^vii—O2—O4^vii	43.9 (2)	O3—O10—Bi2^vi	109.7 (4)
Bi4—O2—O4^vii	53.5 (3)	P1—O10—O4	165.0 (6)
O6—O2—O4^vii	104.8 (5)	Bi1—O10—O4	48.0 (3)
O5—O2—O4^vii	115.4 (4)	O1—O10—O4	156.6 (5)
O8—O2—O4^vii	165.3 (5)	O9—O10—O4	130.9 (5)
Bi4^xi—O2—O4^vii	64.7 (3)	O3—O10—O4	142.7 (5)
Fe1—O2—O4^vii	66.1 (4)	Bi2^vi—O10—O4	52.9 (3)
O1^xii—O2—O4^vii	91.1 (4)	P1—O10—O8	100.1 (5)
P2—O2—Bi3^iv	92.6 (5)	Bi1—O10—O8	48.6 (2)
Fe1^xi—O2—Bi3^iv	118.4 (4)	O1—O10—O8	135.5 (4)
Bi1^vii—O2—Bi3^iv	117.2 (4)	O9—O10—O8	83.1 (4)
Bi4—O2—Bi3^iv	119.9 (4)	O3—O10—O8	79.7 (4)
O6—O2—Bi3^iv	111.2 (4)	Bi2^vi—O10—O8	87.0 (3)
O5—O2—Bi3^iv	105.7 (4)	O4—O10—O8	67.7 (3)
O8—O2—Bi3^iv	57.0 (3)	P1—O10—O6	109.4 (5)
Bi4^xi—O2—Bi3^iv	114.4 (4)	Bi1—O10—O6	87.1 (3)
Fe1—O2—Bi3^iv	115.6 (4)	O1—O10—O6	125.9 (4)
O1^xii—O2—Bi3^iv	67.2 (3)	O9—O10—O6	118.1 (4)
O4^vii—O2—Bi3^iv	134.9 (4)	O3—O10—O6	75.4 (4)
P1—O3—Bi3	110.4 (5)	Bi2^vi—O10—O6	48.0 (3)
P1—O3—O9	37.3 (3)	O4—O10—O6	69.5 (3)
Bi3—O3—O9	75.6 (3)	O8—O10—O6	47.9 (3)
P1—O3—O1	36.0 (3)	P1—O10—O1^xiv	137.7 (5)
Bi3—O3—O1	136.2 (4)	Bi1—O10—O1^xiv	97.2 (3)
O9—O3—O1	62.6 (4)	O1—O10—O1^xiv	102.2 (4)
P1—O3—O10	34.3 (3)	O9—O10—O1^xiv	147.0 (4)
Bi3—O3—O10	110.6 (4)	O3—O10—O1^xiv	141.1 (4)
O9—O3—O10	60.4 (4)	Bi2^vi—O10—O1^xiv	47.2 (2)
O1—O3—O10	59.9 (3)	O4—O10—O1^xiv	56.2 (3)
P1—O3—Bi2	145.4 (5)	O8—O10—O1^xiv	121.5 (4)
Bi3—O3—Bi2	96.0 (3)	O6—O10—O1^xiv	94.8 (4)
O9—O3—Bi2	167.6 (4)	P1—O10—O5^i	77.9 (4)
O1—O3—Bi2	127.3 (4)	Bi1—O10—O5^i	76.8 (3)
O10—O3—Bi2	116.0 (4)	O1—O10—O5^i	68.4 (3)
P1—O3—O7^v	156.0 (6)	O9—O10—O5^i	59.5 (3)
Bi3—O3—O7^v	49.6 (2)	O3—O10—O5^i	111.6 (4)
O9—O3—O7^v	118.9 (4)	Bi2^vi—O10—O5^i	134.7 (4)
O1—O3—O7^v	146.3 (4)	O4—O10—O5^i	99.6 (4)
O10—O3—O7^v	153.2 (5)	O8—O10—O5^i	117.6 (4)
Bi2—O3—O7^v	58.2 (3)	O6—O10—O5^i	163.9 (4)
P1—O3—O6^vi	94.7 (5)	O1^xiv—O10—O5^i	88.2 (3)
Bi3—O3—O6^vi	147.1 (4)	P1—O10—O6^vi	73.3 (4)
O9—O3—O6^vi	131.9 (5)	Bi1—O10—O6^vi	151.3 (4)
O1—O3—O6^vi	76.2 (4)	O1—O10—O6^vi	65.5 (3)
O10—O3—O6^vi	78.4 (4)	O9—O10—O6^vi	107.7 (4)
Bi2—O3—O6^vi	53.5 (3)	O3—O10—O6^vi	53.6 (3)
O7^v—O3—O6^vi	109.0 (4)	Bi2^vi—O10—O6^vi	64.9 (3)
P1—O3—Fe1^vi	88.0 (4)	O4—O10—O6^vi	117.3 (4)
Bi3—O3—Fe1^vi	146.4 (4)	O8—O10—O6^vi	105.0 (4)
O9—O3—Fe1^vi	110.8 (4)	O6—O10—O6^vi	64.2 (4)
O1—O3—Fe1^vi	52.4 (3)	O1^xiv—O10—O6^vi	88.0 (3)
O10—O3—Fe1^vi	100.4 (4)	O5^i—O10—O6^vi	131.8 (4)
Bi2—O3—Fe1^vi	81.3 (3)

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