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The first silver bismuth borate, AgBi2B5O11 (silver dibismuth pentaborate), has been prepared via glass crystallization in the Ag2O–Bi2O3–B2O3 system and characterized by single-crystal X-ray diffraction. Its structure is derived from that of centrosymmetric Bi3B5O12 by ordered substitution of one Bi3+ ion for Ag+, which results in the disappearance of the mirror plane and inversion centre. Second harmonic generation (SHG) measurements confirm the acentric crystal structure. It is formed by [Bi2B5O11]∞ layers stretched along c and comprised of vertex-sharing B5O10 and BiO3 groups which incorporate the Ag+ cations. The new compound was characterized by thermal analysis, high-temperature powder X-ray diffraction, and vibrational and UV–Vis–NIR (near infrared) spectroscopy. Its thermal expansion is strongly anisotropic due to the presence of rigid B5O10 groups aligned in a parallel manner. The minimal value is observed along their axis [parallel to c, αc = 3.1 (1) × 10−6 K−1], while maximal values are observed in the ab plane [αa = 20.4 (2) and αb = 7.8 (2) × 10−6 K−1]. Upon heating, AgBi2B5O11 starts to decay above 684 K due to partial reduction of silver; incongruent melting is observed at 861 K. According to density functional theory (DFT) band-structure calculations, the new compound is a semiconductor with an indirect energy gap of 3.57 eV, which agrees with the experimental data (absorption onset at 380 nm).
Supporting information
CCDC reference: 1895636
Data collection: APEX2 (Bruker, 2003); cell refinement: APEX2 (Bruker, 2003); data reduction: APEX2 (Bruker, 2003); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007) and
JANA2006(Petricek et al., 2014); molecular graphics: ATOMS (Dowty, 2003); software used to prepare material for publication: PLATON (Spek, 2009).
Silver dibismuth pentaborate
top
Crystal data top
AgBi2B5O11 | F(000) = 2608 |
Mr = 755.9 | Dx = 5.379 Mg m−3 |
Orthorhombic, Pna21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2c -2n | Cell parameters from 83842 reflections |
a = 13.2210 (3) Å | θ = 2.2–38.7° |
b = 7.7792 (2) Å | µ = 39.75 mm−1 |
c = 18.1515 (4) Å | T = 293 K |
V = 1866.86 (8) Å3 | Prizm, colourless |
Z = 8 | 0.24 × 0.13 × 0.07 mm |
Data collection top
Bruker APEXII CCD detector diffractometer | 9998 independent reflections |
Radiation source: X-ray tube | 6350 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.113 |
ω and phi scans | θmax = 38.7°, θmin = 2.2° |
Absorption correction: analytical (SADABS; Bruker, 2003) | h = −22→22 |
Tmin = 0.012, Tmax = 0.164 | k = −12→12 |
83842 measured reflections | l = −31→31 |
Refinement top
Refinement on F | 1 constraint |
R[F2 > 2σ(F2)] = 0.037 | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
wR(F2) = 0.042 | (Δ/σ)max = 0.031 |
S = 0.99 | Δρmax = 2.55 e Å−3 |
9998 reflections | Δρmin = −1.80 e Å−3 |
343 parameters | Absolute structure: 4716 of Friedel pairs used in the refinement |
0 restraints | Absolute structure parameter: 0.006 (6) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Bi1 | 0.60824 (3) | 0.71542 (5) | 0.40703 (2) | 0.01617 (9) | |
Bi2 | 0.38139 (3) | 0.51716 (4) | 0.320446 (18) | 0.01557 (8) | |
Bi3 | 0.13714 (3) | 0.54085 (5) | 0.61769 (2) | 0.01636 (9) | |
Bi4 | 0.36116 (3) | 0.72982 (5) | 0.52786 (2) | 0.01623 (10) | |
Ag1 | 0.38274 (7) | 0.97671 (11) | 0.32360 (6) | 0.0264 (2) | |
Ag2 | 0.36692 (7) | 0.50199 (11) | 0.11168 (5) | 0.0258 (2) | |
O1 | 0.1902 (7) | 0.2640 (10) | 0.3025 (6) | 0.025 (3) | |
O2 | 0.4426 (7) | 0.2546 (9) | 0.6343 (6) | 0.024 (3) | |
O3 | 0.3838 (5) | 0.3134 (10) | 0.7556 (4) | 0.0185 (19) | |
O4 | 0.1321 (6) | 0.1824 (11) | 0.1844 (4) | 0.022 (2) | |
O5 | 0.2143 (7) | 0.7422 (9) | 0.5690 (5) | 0.022 (2) | |
O6 | 0.0787 (6) | 0.4414 (10) | 0.3750 (4) | 0.021 (2) | |
O7 | 0.4583 (6) | 0.7158 (10) | 0.3738 (5) | 0.021 (2) | |
O8 | 0.2681 (5) | 0.2040 (11) | 0.6671 (4) | 0.021 (2) | |
O9 | 0.0139 (6) | 0.3006 (11) | 0.2697 (4) | 0.021 (2) | |
O10 | 0.2699 (6) | 0.7071 (10) | 0.2972 (5) | 0.024 (2) | |
O11 | 0.5660 (6) | 0.5184 (9) | 0.4883 (4) | 0.022 (2) | |
O12 | 0.0598 (6) | 0.1323 (9) | 0.3754 (4) | 0.018 (2) | |
O13 | 0.5684 (7) | 0.2133 (10) | 0.4887 (5) | 0.023 (2) | |
O14 | 0.4535 (6) | 0.5941 (10) | 0.2182 (4) | 0.025 (2) | |
O15 | 0.3124 (8) | 0.2270 (9) | 0.4481 (5) | 0.027 (3) | |
O16 | 0.3048 (6) | 0.5286 (9) | 0.4514 (4) | 0.020 (2) | |
O17 | 0.5595 (5) | 0.9130 (9) | 0.4870 (4) | 0.0181 (19) | |
O18 | 0.2032 (5) | 0.6027 (10) | 0.7247 (4) | 0.021 (2) | |
O19 | 0.3371 (6) | 0.0741 (9) | 0.5605 (4) | 0.021 (2) | |
O20 | 0.3123 (6) | 0.9246 (9) | 0.4501 (5) | 0.022 (2) | |
O21 | 0.3106 (6) | 0.3810 (10) | 0.5628 (4) | 0.022 (2) | |
O22 | 0.9768 (6) | 0.2771 (10) | 0.1402 (5) | 0.022 (2) | |
B1 | 0.0370 (9) | 0.2533 (11) | 0.1980 (8) | 0.012 (3) | |
B2 | 0.2064 (8) | 0.1809 (16) | 0.2375 (6) | 0.019 (3) | |
B3 | 0.2909 (10) | 0.2357 (15) | 0.7372 (9) | 0.021 (3) | |
B4 | 0.4590 (8) | 0.3242 (14) | 0.7022 (6) | 0.016 (3) | |
B5 | 0.5649 (8) | 0.3667 (14) | 0.4515 (6) | 0.017 (3) | |
B6 | 0.0895 (9) | 0.2849 (14) | 0.3294 (7) | 0.018 (3) | |
B7 | 0.3193 (9) | 0.0755 (15) | 0.4848 (7) | 0.020 (3) | |
B8 | 0.3417 (10) | 0.2231 (15) | 0.6063 (6) | 0.018 (3) | |
B9 | 0.5700 (8) | 0.0599 (15) | 0.4487 (6) | 0.015 (3) | |
B10 | 0.3091 (9) | 0.3804 (16) | 0.4869 (7) | 0.021 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Bi1 | 0.01471 (17) | 0.01751 (15) | 0.01628 (17) | 0.00043 (12) | 0.00033 (14) | 0.00014 (16) |
Bi2 | 0.01569 (14) | 0.01625 (15) | 0.01478 (14) | 0.00040 (11) | −0.00070 (14) | −0.00080 (14) |
Bi3 | 0.01577 (15) | 0.01705 (16) | 0.01628 (15) | 0.00032 (11) | 0.00077 (14) | 0.00037 (14) |
Bi4 | 0.01499 (18) | 0.01682 (16) | 0.01688 (17) | −0.00046 (11) | −0.00096 (14) | −0.00029 (16) |
Ag1 | 0.0301 (4) | 0.0271 (4) | 0.0219 (4) | −0.0034 (3) | −0.0052 (4) | 0.0058 (4) |
Ag2 | 0.0279 (4) | 0.0281 (4) | 0.0214 (4) | 0.0026 (3) | −0.0042 (3) | −0.0058 (4) |
O1 | 0.017 (4) | 0.037 (5) | 0.020 (5) | −0.002 (3) | −0.001 (3) | −0.008 (3) |
O2 | 0.019 (4) | 0.033 (4) | 0.021 (5) | −0.001 (3) | 0.001 (3) | −0.006 (3) |
O3 | 0.013 (3) | 0.024 (4) | 0.019 (3) | −0.006 (2) | 0.000 (2) | 0.004 (3) |
O4 | 0.021 (4) | 0.033 (4) | 0.011 (3) | 0.009 (3) | 0.000 (2) | −0.006 (3) |
O5 | 0.015 (4) | 0.028 (4) | 0.023 (4) | −0.001 (2) | 0.011 (3) | 0.002 (3) |
O6 | 0.026 (4) | 0.027 (4) | 0.010 (3) | 0.002 (3) | 0.001 (2) | −0.001 (3) |
O7 | 0.018 (4) | 0.019 (3) | 0.027 (4) | 0.001 (3) | 0.001 (3) | −0.006 (3) |
O8 | 0.011 (3) | 0.035 (4) | 0.017 (3) | −0.009 (3) | −0.001 (2) | 0.004 (3) |
O9 | 0.014 (3) | 0.038 (4) | 0.013 (3) | 0.004 (3) | 0.000 (2) | −0.005 (3) |
O10 | 0.024 (4) | 0.029 (4) | 0.019 (4) | 0.008 (3) | −0.005 (3) | −0.001 (3) |
O11 | 0.028 (4) | 0.020 (4) | 0.018 (3) | −0.003 (3) | −0.005 (3) | −0.001 (3) |
O12 | 0.027 (4) | 0.016 (3) | 0.013 (3) | −0.002 (3) | −0.002 (3) | 0.001 (3) |
O13 | 0.031 (4) | 0.020 (3) | 0.017 (4) | −0.005 (3) | −0.004 (3) | −0.001 (3) |
O14 | 0.020 (4) | 0.039 (4) | 0.016 (3) | −0.008 (3) | −0.001 (3) | 0.003 (3) |
O15 | 0.046 (6) | 0.016 (3) | 0.018 (4) | 0.000 (3) | −0.003 (4) | −0.002 (3) |
O16 | 0.020 (3) | 0.019 (3) | 0.021 (3) | −0.003 (2) | 0.000 (3) | −0.003 (3) |
O17 | 0.022 (3) | 0.016 (3) | 0.016 (3) | 0.005 (2) | −0.001 (3) | 0.006 (3) |
O18 | 0.018 (3) | 0.031 (4) | 0.014 (3) | −0.006 (3) | −0.001 (2) | 0.000 (3) |
O19 | 0.034 (4) | 0.016 (3) | 0.013 (3) | 0.002 (3) | 0.006 (3) | −0.005 (3) |
O20 | 0.027 (4) | 0.012 (3) | 0.026 (4) | −0.001 (2) | 0.002 (3) | 0.002 (3) |
O21 | 0.026 (4) | 0.019 (4) | 0.022 (4) | 0.001 (3) | 0.001 (3) | −0.001 (3) |
O22 | 0.013 (3) | 0.037 (4) | 0.016 (3) | 0.006 (3) | −0.002 (3) | 0.003 (3) |
B1 | 0.013 (5) | 0.009 (5) | 0.014 (5) | 0.003 (3) | −0.001 (4) | 0.003 (3) |
B2 | 0.011 (5) | 0.032 (6) | 0.014 (4) | −0.002 (4) | −0.003 (3) | −0.001 (4) |
B3 | 0.018 (6) | 0.023 (6) | 0.020 (6) | −0.005 (4) | −0.006 (5) | −0.007 (4) |
B4 | 0.016 (5) | 0.016 (5) | 0.015 (4) | −0.001 (3) | −0.001 (3) | 0.000 (4) |
B5 | 0.017 (5) | 0.017 (5) | 0.016 (5) | 0.005 (3) | 0.004 (4) | −0.003 (4) |
B6 | 0.021 (5) | 0.016 (5) | 0.017 (5) | 0.005 (3) | 0.001 (4) | 0.002 (5) |
B7 | 0.025 (6) | 0.018 (5) | 0.017 (5) | −0.003 (4) | 0.004 (4) | 0.006 (4) |
B8 | 0.026 (6) | 0.023 (5) | 0.007 (4) | −0.003 (4) | 0.005 (4) | 0.002 (4) |
B9 | 0.019 (5) | 0.020 (5) | 0.007 (4) | −0.002 (4) | −0.004 (3) | 0.002 (4) |
B10 | 0.015 (5) | 0.025 (6) | 0.022 (6) | −0.003 (4) | 0.011 (4) | −0.011 (5) |
Geometric parameters (Å, º) top
Bi1—O3i | 2.760 (7) | Ag2—O8x | 2.582 (8) |
Bi1—O6ii | 2.760 (8) | Ag2—O11i | 2.414 (8) |
Bi1—O7 | 2.073 (8) | Ag2—O14 | 2.358 (7) |
Bi1—O10ii | 2.984 (8) | Ag2—O22iv | 2.664 (8) |
Bi1—O11 | 2.199 (8) | B1—O4 | 1.394 (14) |
Bi1—O12iii | 2.838 (7) | B1—O9 | 1.387 (16) |
Bi1—O17 | 2.210 (7) | B1—O22xii | 1.330 (16) |
Bi1—O20ii | 3.012 (8) | B2—O1 | 1.362 (15) |
Bi2—O7 | 2.088 (8) | B2—O4 | 1.377 (13) |
Bi2—O9iii | 3.167 (8) | B2—O18xi | 1.361 (13) |
Bi2—O10 | 2.129 (8) | B3—O3 | 1.409 (15) |
Bi2—O12iii | 2.813 (7) | B3—O8 | 1.331 (18) |
Bi2—O14 | 2.171 (7) | B3—O10xiii | 1.372 (18) |
Bi2—O16 | 2.586 (8) | B4—O2 | 1.363 (15) |
Bi3—O5 | 2.067 (8) | B4—O3 | 1.391 (13) |
Bi3—O13iv | 3.196 (8) | B4—O14vi | 1.352 (13) |
Bi3—O17v | 2.610 (7) | B5—O11 | 1.355 (13) |
Bi3—O18 | 2.183 (7) | B5—O12iii | 1.383 (13) |
Bi3—O21 | 2.792 (8) | B5—O13 | 1.372 (14) |
Bi3—O22vi | 2.107 (8) | B6—O1 | 1.428 (16) |
Bi4—O4vii | 2.866 (7) | B6—O6 | 1.478 (14) |
Bi4—O5 | 2.083 (9) | B6—O9 | 1.479 (15) |
Bi4—O7 | 3.080 (9) | B6—O12 | 1.504 (14) |
Bi4—O16 | 2.220 (7) | B7—O15 | 1.358 (14) |
Bi4—O17 | 3.075 (7) | B7—O19 | 1.394 (14) |
Bi4—O19viii | 2.762 (7) | B7—O20xiv | 1.336 (14) |
Bi4—O20 | 2.169 (8) | B8—O2 | 1.449 (16) |
Bi4—O21 | 2.865 (8) | B8—O8 | 1.479 (14) |
Bi4—O22ix | 2.980 (8) | B8—O19 | 1.427 (14) |
Ag1—O6ii | 2.826 (8) | B8—O21 | 1.517 (14) |
Ag1—O7 | 2.438 (8) | B9—O6iii | 1.343 (12) |
Ag1—O9ii | 2.639 (8) | B9—O13 | 1.397 (14) |
Ag1—O10 | 2.618 (8) | B9—O17xiv | 1.344 (13) |
Ag1—O18x | 2.341 (7) | B10—O15 | 1.387 (15) |
Ag1—O20 | 2.510 (8) | B10—O16 | 1.322 (14) |
Ag2—O5xi | 2.415 (8) | B10—O21 | 1.376 (15) |
| | | |
O3i—Bi1—O6ii | 82.8 (2) | O7—Bi4—O22ix | 109.0 (2) |
O3i—Bi1—O7 | 75.3 (3) | O16—Bi4—O17 | 117.5 (2) |
O3i—Bi1—O10ii | 47.5 (2) | O16—Bi4—O19viii | 141.2 (2) |
O3i—Bi1—O11 | 128.4 (3) | O16—Bi4—O20 | 89.2 (3) |
O3i—Bi1—O12iii | 74.3 (2) | O16—Bi4—O21 | 52.6 (2) |
O3i—Bi1—O17 | 136.2 (2) | O16—Bi4—O22ix | 139.1 (2) |
O3i—Bi1—O20ii | 101.2 (2) | O17—Bi4—O19viii | 72.6 (2) |
O6ii—Bi1—O7 | 78.6 (3) | O17—Bi4—O20 | 76.9 (2) |
O6ii—Bi1—O10ii | 76.4 (2) | O17—Bi4—O21 | 133.7 (2) |
O6ii—Bi1—O11 | 141.2 (2) | O17—Bi4—O22ix | 59.7 (2) |
O6ii—Bi1—O12iii | 147.9 (2) | O19viii—Bi4—O20 | 55.1 (2) |
O6ii—Bi1—O17 | 54.9 (2) | O19viii—Bi4—O21 | 147.6 (2) |
O6ii—Bi1—O20ii | 122.1 (2) | O19viii—Bi4—O22ix | 79.4 (2) |
O7—Bi1—O10ii | 119.4 (3) | O20—Bi4—O21 | 137.4 (3) |
O7—Bi1—O11 | 87.3 (3) | O20—Bi4—O22ix | 125.0 (3) |
O7—Bi1—O12iii | 74.1 (3) | O21—Bi4—O22ix | 97.7 (2) |
O7—Bi1—O17 | 84.9 (3) | O6ii—Ag1—O7 | 71.9 (2) |
O7—Bi1—O20ii | 158.9 (2) | O6ii—Ag1—O9ii | 51.1 (2) |
O10ii—Bi1—O11 | 140.4 (3) | O6ii—Ag1—O10 | 139.8 (2) |
O10ii—Bi1—O12iii | 102.7 (2) | O6ii—Ag1—O18x | 127.1 (2) |
O10ii—Bi1—O17 | 120.5 (2) | O6ii—Ag1—O20 | 94.3 (2) |
O10ii—Bi1—O20ii | 66.7 (2) | O7—Ag1—O9ii | 114.6 (3) |
O11—Bi1—O12iii | 54.1 (2) | O7—Ag1—O10 | 68.6 (3) |
O11—Bi1—O17 | 88.3 (3) | O7—Ag1—O18x | 146.5 (3) |
O11—Bi1—O20ii | 78.5 (3) | O7—Ag1—O20 | 71.1 (3) |
O12iii—Bi1—O17 | 136.9 (2) | O9ii—Ag1—O10 | 146.4 (3) |
O12iii—Bi1—O20ii | 84.8 (2) | O9ii—Ag1—O18x | 76.1 (2) |
O17—Bi1—O20ii | 110.0 (2) | O9ii—Ag1—O20 | 133.5 (2) |
O7—Bi2—O9iii | 116.3 (3) | O10—Ag1—O18x | 85.3 (3) |
O7—Bi2—O10 | 85.1 (3) | O10—Ag1—O20 | 80.0 (2) |
O7—Bi2—O12iii | 74.5 (3) | O18x—Ag1—O20 | 126.1 (2) |
O7—Bi2—O14 | 88.8 (3) | O5xi—Ag2—O8x | 109.1 (3) |
O7—Bi2—O16 | 74.9 (3) | O5xi—Ag2—O11i | 79.1 (3) |
O9iii—Bi2—O10 | 150.1 (3) | O5xi—Ag2—O14 | 137.1 (3) |
O9iii—Bi2—O12iii | 46.89 (19) | O5xi—Ag2—O22iv | 67.8 (3) |
O9iii—Bi2—O14 | 74.0 (3) | O8x—Ag2—O11i | 130.9 (3) |
O9iii—Bi2—O16 | 120.7 (2) | O8x—Ag2—O14 | 80.3 (3) |
O10—Bi2—O12iii | 159.7 (3) | O8x—Ag2—O22iv | 142.9 (3) |
O10—Bi2—O14 | 86.8 (3) | O11i—Ag2—O14 | 127.0 (3) |
O10—Bi2—O16 | 83.5 (3) | O11i—Ag2—O22iv | 85.8 (3) |
O12iii—Bi2—O14 | 92.8 (2) | O14—Ag2—O22iv | 79.9 (3) |
O12iii—Bi2—O16 | 90.9 (2) | O4—B1—O9 | 118.0 (10) |
O14—Bi2—O16 | 161.6 (3) | O4—B1—O22xii | 117.0 (11) |
O5—Bi3—O13iv | 107.2 (3) | O9—B1—O22xii | 124.9 (10) |
O5—Bi3—O17v | 72.6 (3) | O1—B2—O4 | 119.4 (9) |
O5—Bi3—O18 | 90.9 (3) | O1—B2—O18xi | 119.9 (9) |
O5—Bi3—O21 | 77.3 (3) | O4—B2—O18xi | 120.6 (9) |
O5—Bi3—O22vi | 85.8 (3) | O3—B3—O8 | 120.2 (12) |
O13iv—Bi3—O17v | 46.2 (2) | O3—B3—O10xiii | 113.1 (12) |
O13iv—Bi3—O18 | 154.4 (2) | O8—B3—O10xiii | 126.7 (11) |
O13iv—Bi3—O21 | 72.3 (2) | O2—B4—O3 | 119.5 (9) |
O13iv—Bi3—O22vi | 110.7 (3) | O2—B4—O14vi | 121.1 (9) |
O17v—Bi3—O18 | 159.3 (2) | O3—B4—O14vi | 119.4 (9) |
O17v—Bi3—O21 | 93.4 (2) | O11—B5—O12iii | 119.1 (9) |
O17v—Bi3—O22vi | 78.6 (3) | O11—B5—O13 | 121.0 (10) |
O18—Bi3—O21 | 95.0 (2) | O12iii—B5—O13 | 119.9 (9) |
O18—Bi3—O22vi | 88.0 (3) | O1—B6—O6 | 112.1 (9) |
O21—Bi3—O22vi | 162.8 (3) | O1—B6—O9 | 112.9 (10) |
O4vii—Bi4—O5 | 71.3 (3) | O1—B6—O12 | 110.0 (8) |
O4vii—Bi4—O7 | 152.0 (2) | O6—B6—O9 | 106.1 (8) |
O4vii—Bi4—O16 | 122.6 (3) | O6—B6—O12 | 108.3 (9) |
O4vii—Bi4—O17 | 105.8 (2) | O9—B6—O12 | 107.2 (8) |
O4vii—Bi4—O19viii | 85.2 (2) | O15—B7—O19 | 120.1 (10) |
O4vii—Bi4—O20 | 138.1 (3) | O15—B7—O20xiv | 121.8 (11) |
O4vii—Bi4—O21 | 70.5 (2) | O19—B7—O20xiv | 118.1 (10) |
O4vii—Bi4—O22ix | 46.8 (2) | O2—B8—O8 | 111.1 (9) |
O5—Bi4—O7 | 135.7 (3) | O2—B8—O19 | 112.4 (10) |
O5—Bi4—O16 | 86.8 (3) | O2—B8—O21 | 107.2 (9) |
O5—Bi4—O17 | 149.3 (2) | O8—B8—O19 | 108.9 (9) |
O5—Bi4—O19viii | 76.7 (3) | O8—B8—O21 | 107.0 (9) |
O5—Bi4—O20 | 85.6 (3) | O19—B8—O21 | 110.1 (9) |
O5—Bi4—O21 | 75.3 (3) | O6iii—B9—O13 | 121.7 (9) |
O5—Bi4—O22ix | 114.8 (3) | O6iii—B9—O17xiv | 121.2 (9) |
O7—Bi4—O16 | 63.1 (2) | O13—B9—O17xiv | 117.1 (9) |
O7—Bi4—O17 | 56.1 (2) | O15—B10—O16 | 120.2 (11) |
O7—Bi4—O19viii | 106.1 (2) | O15—B10—O21 | 120.8 (10) |
O7—Bi4—O20 | 63.8 (3) | O16—B10—O21 | 119.0 (10) |
O7—Bi4—O21 | 105.3 (2) | | |
Symmetry codes: (i) −x+1, −y+1, z−1/2; (ii) x+1/2, −y+3/2, z; (iii) x+1/2, −y+1/2, z; (iv) x−1/2, −y+1/2, z; (v) x−1/2, −y+3/2, z; (vi) −x+1, −y+1, z+1/2; (vii) −x+1/2, y+1/2, z+1/2; (viii) x, y+1, z; (ix) −x+3/2, y+1/2, z+1/2; (x) −x+1/2, y+1/2, z−1/2; (xi) −x+1/2, y−1/2, z−1/2; (xii) x−1, y, z; (xiii) −x+1/2, y−1/2, z+1/2; (xiv) x, y−1, z. |
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