Topaz Komatsu K, Kagi H, Marshall W G, Kuribayashi T, Parise J B, Kudoh Y American Mineralogist 93 (2008) 217-227 Pressure dependence of the hydrogen-bond geometry in topaz-OD from neutron powder diffraction Locality: synthetic Sample: 38 tons, P = 3.6 GPa _database_code_amcsd 0004520 CELL PARAMETERS: 4.6978 8.8786 8.3390 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 347.819 Density (g/cm3): 3.438 MAX. ABS. INTENSITY / VOLUME**2: 6.218298652 RIR: 0.589 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.00 5.65 4.4393 0 2 0 2 21.40 8.28 4.1524 1 1 0 4 22.69 8.66 3.9186 0 2 1 4 23.94 79.40 3.7170 1 1 1 8 27.65 90.57 3.2266 1 2 0 4 29.39 27.88 3.0392 0 2 2 4 29.69 20.50 3.0092 1 2 1 8 30.38 100.00 2.9422 1 1 2 8 35.86 30.26 2.5041 1 3 0 4 37.50 24.65 2.3983 1 3 1 8 37.60 7.75 2.3923 1 0 3 4 38.20 59.40 2.3559 0 2 3 4 38.99 7.40 2.3099 1 1 3 8 39.69 2.31 2.2708 2 1 0 4 40.65 10.59 2.2197 0 4 0 2 41.20 19.88 2.1910 2 1 1 8 42.13 5.89 2.1450 0 4 1 4 42.95 67.33 2.1059 1 2 3 8 43.59 37.06 2.0762 2 2 0 4 45.18 5.74 2.0069 1 4 0 4 45.48 5.96 1.9942 2 1 2 8 46.34 2.85 1.9593 0 4 2 4 46.54 6.33 1.9512 1 4 1 8 48.88 30.77 1.8631 1 1 4 8 48.96 25.49 1.8605 1 3 3 8 49.54 10.42 1.8398 2 3 0 4 50.47 7.42 1.8083 1 4 2 8 50.82 7.49 1.7966 2 3 1 8 54.52 22.15 1.6833 2 3 2 8 55.22 9.05 1.6634 2 2 3 8 56.56 17.07 1.6271 1 4 3 8 57.09 3.95 1.6133 2 4 0 4 58.25 1.40 1.5839 2 4 1 8 60.26 11.47 1.5357 2 1 4 8 60.33 23.80 1.5342 2 3 3 8 60.97 5.05 1.5196 0 4 4 4 61.64 1.13 1.5046 2 4 2 8 62.71 1.86 1.4816 1 2 5 8 62.94 12.01 1.4768 3 2 0 4 63.89 6.22 1.4570 0 6 1 4 64.03 2.17 1.4541 3 2 1 8 64.42 4.33 1.4464 3 1 2 8 64.44 3.52 1.4458 1 4 4 8 65.46 42.84 1.4258 1 5 3 8 65.95 27.67 1.4165 2 5 0 4 67.01 3.35 1.3965 2 5 1 8 67.12 1.45 1.3945 0 6 2 4 67.38 27.01 1.3898 0 0 6 2 67.47 4.84 1.3881 1 3 5 8 67.95 7.74 1.3795 2 3 4 8 68.81 44.31 1.3643 3 0 3 4 69.99 3.06 1.3442 2 1 5 8 70.43 5.30 1.3369 1 6 2 8 72.34 3.68 1.3062 0 6 3 4 74.31 7.42 1.2765 1 2 6 8 74.35 2.28 1.2759 2 4 4 8 75.11 2.42 1.2648 3 4 1 8 75.30 1.54 1.2621 2 5 3 8 75.55 6.80 1.2585 1 6 3 8 76.01 2.87 1.2520 2 6 0 4 76.90 3.09 1.2398 3 1 4 8 77.02 1.95 1.2382 2 6 1 8 78.04 6.01 1.2245 1 7 0 4 78.13 1.66 1.2232 3 4 2 8 78.75 5.04 1.2152 1 3 6 8 79.42 2.92 1.2067 0 6 4 4 82.05 2.09 1.1745 4 0 0 2 82.54 3.85 1.1687 1 6 4 8 83.75 4.22 1.1549 2 2 6 8 83.91 5.26 1.1531 4 1 1 8 84.63 4.82 1.1451 1 1 7 8 84.86 1.10 1.1426 1 4 6 8 88.00 3.03 1.1098 0 8 0 2 88.08 1.50 1.1090 2 3 6 8 88.29 1.37 1.1069 0 6 5 4 88.42 2.23 1.1056 3 2 5 8 89.45 2.11 1.0955 4 2 2 8 89.85 1.29 1.0916 4 3 0 4 89.97 1.61 1.0905 3 4 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.