Preobrazhenskite Burns P C, Hawthorne F C The Canadian Mineralogist 32 (1994) 387-396 Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral borate _database_code_amcsd 0005367 CELL PARAMETERS: 16.2910 9.1810 10.5710 90.000 90.000 90.000 SPACE GROUP: Pbcn X-RAY WAVELENGTH: 1.541838 Cell Volume: 1581.080 Density (g/cm3): 2.457 MAX. ABS. INTENSITY / VOLUME**2: 2.280105462 RIR: 0.302 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.86 4.02 8.1455 2 0 0 2 11.06 34.35 7.9983 1 1 0 4 13.88 3.67 6.3783 1 1 1 8 16.77 27.14 5.2855 0 0 2 2 16.79 80.94 5.2789 2 1 1 8 17.64 29.52 5.0275 1 0 2 4 18.99 33.61 4.6740 3 1 0 4 20.03 30.63 4.4338 2 0 2 4 20.14 2.51 4.4096 1 1 2 8 20.78 37.68 4.2748 3 1 1 8 21.80 22.93 4.0767 1 2 1 8 21.82 33.90 4.0728 4 0 0 2 22.27 4.36 3.9926 2 1 2 8 23.49 100.00 3.7876 3 0 2 4 23.79 1.46 3.7404 2 2 1 8 25.36 26.14 3.5115 4 1 1 8 25.70 2.73 3.4658 0 2 2 4 26.29 5.19 3.3900 1 2 2 8 26.79 2.22 3.3275 3 2 1 8 27.65 49.06 3.2261 4 0 2 4 27.66 2.19 3.2246 1 1 3 8 27.98 54.33 3.1891 2 2 2 8 29.08 7.65 3.0706 5 1 0 4 29.28 50.19 3.0503 2 1 3 8 29.34 3.85 3.0437 4 1 2 8 30.31 1.80 2.9487 5 1 1 8 30.54 2.88 2.9274 4 2 1 8 30.60 19.73 2.9215 3 2 2 8 30.91 7.37 2.8929 1 3 1 8 31.80 50.35 2.8137 3 1 3 8 32.02 33.94 2.7951 0 2 3 4 32.28 30.33 2.7736 5 0 2 4 32.38 20.86 2.7651 2 3 1 8 32.99 1.04 2.7152 6 0 0 2 33.61 32.90 2.6661 3 3 0 4 33.76 2.36 2.6551 5 1 2 8 33.91 2.58 2.6438 2 2 3 8 33.92 1.78 2.6428 0 0 4 2 33.96 64.17 2.6395 4 2 2 8 34.30 3.20 2.6141 1 3 2 8 34.38 2.85 2.6086 1 0 4 4 34.82 3.51 2.5768 5 2 1 8 35.51 3.61 2.5281 6 1 1 8 35.72 10.09 2.5138 2 0 4 4 35.78 1.25 2.5093 1 1 4 8 37.23 2.64 2.4151 6 0 2 4 37.79 1.24 2.3804 3 3 2 8 37.86 1.26 2.3763 3 0 4 4 38.55 19.13 2.3357 6 1 2 8 38.90 6.48 2.3150 5 1 3 8 39.25 10.99 2.2952 0 4 0 2 39.96 1.10 2.2559 7 1 0 4 40.44 1.60 2.2307 5 3 0 4 40.59 11.05 2.2229 2 3 3 8 40.63 2.84 2.2203 4 3 2 8 40.90 2.15 2.2063 7 1 1 8 40.93 1.01 2.2048 2 2 4 8 41.37 9.18 2.1826 5 3 1 8 41.77 2.00 2.1625 2 4 1 8 42.52 72.14 2.1261 3 3 3 8 42.62 8.86 2.1215 5 2 3 8 42.85 36.48 2.1103 3 2 4 8 42.96 5.23 2.1053 0 4 2 4 43.34 1.81 2.0879 1 4 2 8 43.62 28.05 2.0748 7 1 2 8 44.12 3.93 2.0525 5 0 4 4 44.48 2.76 2.0369 7 2 1 8 45.11 14.61 2.0097 4 3 3 8 45.27 2.28 2.0030 5 1 4 8 45.41 2.74 1.9974 2 1 5 8 45.43 28.58 1.9963 4 2 4 8 45.48 6.53 1.9945 6 3 1 8 46.25 2.27 1.9630 3 4 2 8 46.64 1.49 1.9476 6 2 3 8 46.77 2.03 1.9425 2 3 4 8 47.03 5.88 1.9321 7 2 2 8 47.18 2.76 1.9263 3 1 5 8 47.26 12.17 1.9232 0 4 3 4 47.61 2.67 1.9100 1 4 3 8 47.87 10.57 1.9002 8 0 2 4 47.99 6.92 1.8959 6 3 2 8 48.04 1.00 1.8938 6 0 4 4 48.69 5.05 1.8702 4 4 2 8 48.95 13.35 1.8608 8 1 2 8 49.18 3.07 1.8525 7 3 0 4 49.32 7.92 1.8475 5 4 1 8 49.74 1.03 1.8332 8 2 1 8 49.98 4.50 1.8247 7 3 1 8 49.99 1.35 1.8246 1 5 0 4 50.33 2.38 1.8129 3 4 3 8 50.40 9.60 1.8105 3 2 5 8 50.78 14.82 1.7981 1 5 1 8 50.86 9.02 1.7954 4 3 4 8 51.46 5.90 1.7759 9 1 0 4 51.76 2.54 1.7661 2 5 1 8 52.09 3.87 1.7557 8 2 2 8 52.18 3.55 1.7529 6 4 0 4 52.23 5.73 1.7514 9 1 1 8 52.33 3.32 1.7482 7 3 2 8 52.38 11.26 1.7466 7 0 4 4 52.55 2.56 1.7413 5 1 5 8 52.62 7.55 1.7394 3 5 0 4 52.70 6.12 1.7369 4 2 5 8 52.88 3.39 1.7315 8 1 3 8 52.94 7.50 1.7296 1 3 5 8 52.95 3.57 1.7292 6 4 1 8 53.10 1.07 1.7248 1 5 2 8 53.15 1.98 1.7232 1 4 4 8 53.24 1.45 1.7206 1 1 6 8 53.40 2.84 1.7158 7 1 4 8 53.78 1.62 1.7046 5 3 4 8 54.06 1.24 1.6965 2 5 2 8 54.11 1.01 1.6950 2 4 4 8 54.84 3.61 1.6740 8 3 1 8 55.21 1.17 1.6638 6 4 2 8 55.47 1.60 1.6566 3 3 5 8 55.55 6.85 1.6544 5 2 5 8 55.59 2.05 1.6533 4 5 1 8 55.76 20.61 1.6486 3 1 6 8 55.90 11.02 1.6448 0 2 6 4 57.02 4.11 1.6150 7 4 1 8 57.05 2.88 1.6143 8 3 2 8 57.10 2.25 1.6130 8 0 4 4 57.20 1.68 1.6104 6 3 4 8 57.62 3.70 1.5997 4 3 5 8 57.77 1.06 1.5958 4 5 2 8 57.82 2.94 1.5946 4 4 4 8 58.06 2.17 1.5887 8 1 4 8 58.17 2.59 1.5859 9 1 3 8 58.84 19.90 1.5694 6 4 3 8 58.91 1.26 1.5678 6 2 5 8 59.24 5.81 1.5598 3 5 3 8 59.32 1.01 1.5580 9 3 0 4 59.36 1.88 1.5568 10 0 2 4 59.66 3.47 1.5498 5 0 6 4 60.30 5.46 1.5349 10 1 2 8 60.32 4.43 1.5345 5 3 5 8 60.51 5.29 1.5302 0 6 0 2 60.61 3.88 1.5277 8 3 3 8 60.81 3.39 1.5233 8 4 0 4 60.87 1.01 1.5218 8 2 4 8 60.98 2.20 1.5193 10 2 1 8 61.50 5.40 1.5077 8 4 1 8 62.65 1.27 1.4827 2 5 4 8 62.88 5.66 1.4779 6 0 6 4 63.07 1.02 1.4740 9 1 4 8 63.34 1.53 1.4683 5 2 6 8 63.52 1.03 1.4647 6 3 5 8 63.56 3.70 1.4639 1 6 2 8 63.56 2.17 1.4637 8 4 2 8 63.64 1.28 1.4621 11 1 0 4 63.66 1.05 1.4617 6 5 2 8 64.10 4.23 1.4527 4 4 5 8 65.26 2.37 1.4297 4 3 6 8 66.33 1.27 1.4092 11 1 2 8 66.36 1.20 1.4086 9 4 1 8 66.46 4.11 1.4068 6 2 6 8 66.63 4.28 1.4035 0 6 3 4 66.96 3.07 1.3976 0 4 6 4 66.98 1.32 1.3971 11 2 1 8 67.23 1.55 1.3925 1 4 6 8 67.50 1.63 1.3876 10 3 2 8 67.55 1.27 1.3868 10 0 4 4 67.78 3.67 1.3825 4 6 2 8 68.30 1.34 1.3733 5 6 1 8 68.95 1.38 1.3619 11 2 2 8 70.26 1.11 1.3398 5 6 2 8 70.66 1.24 1.3331 11 3 0 4 71.04 1.27 1.3270 4 6 3 8 71.31 4.47 1.3226 8 3 5 8 71.31 1.07 1.3226 11 3 1 8 71.59 6.88 1.3181 10 4 1 8 72.50 2.86 1.3037 1 1 8 8 72.62 1.88 1.3018 12 2 0 4 73.27 1.42 1.2920 11 0 4 4 73.31 2.19 1.2914 2 1 8 8 73.73 1.18 1.2851 4 3 7 8 74.41 2.83 1.2749 3 7 0 4 74.63 2.16 1.2718 8 5 3 8 74.80 2.33 1.2693 7 6 1 8 74.86 1.32 1.2684 6 2 7 8 75.60 2.94 1.2578 1 4 7 8 75.80 1.87 1.2549 7 1 7 8 76.12 1.34 1.2505 5 3 7 8 76.39 1.07 1.2468 6 6 3 8 76.39 1.38 1.2467 2 4 7 8 77.18 1.85 1.2359 11 4 1 8 78.73 2.03 1.2154 2 7 3 8 78.98 3.40 1.2123 4 2 8 8 79.27 2.64 1.2085 3 6 5 8 79.74 2.06 1.2025 8 1 7 8 81.08 1.12 1.1861 10 1 6 8 81.10 2.75 1.1859 4 6 5 8 81.32 1.32 1.1831 5 2 8 8 81.71 1.35 1.1785 13 2 2 8 81.86 1.65 1.1768 4 7 3 8 82.56 2.00 1.1685 12 4 0 4 83.94 1.40 1.1528 13 3 1 8 84.27 2.89 1.1491 7 0 8 4 84.40 1.35 1.1476 0 8 0 2 84.55 3.00 1.1460 8 5 5 8 85.18 1.64 1.1391 3 1 9 8 85.30 1.08 1.1379 0 2 9 4 86.63 1.72 1.1238 13 1 4 8 87.31 1.05 1.1168 7 7 2 8 87.79 1.36 1.1119 1 7 5 8 88.07 1.07 1.1091 12 4 3 8 88.93 1.67 1.1006 11 2 6 8 89.61 1.98 1.0940 13 4 1 8 89.89 1.63 1.0913 10 6 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.