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: 7 tons, P = 0.0001 GPa _database_code_amcsd 0004517 CELL PARAMETERS: 4.7316 8.9328 8.4286 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 356.247 Density (g/cm3): 3.357 MAX. ABS. INTENSITY / VOLUME**2: 7.132490797 RIR: 0.692 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.88 7.53 4.4664 0 2 0 2 21.25 8.29 4.1813 1 1 0 4 22.53 5.29 3.9465 0 2 1 4 23.75 64.72 3.7457 1 1 1 8 27.46 70.87 3.2479 1 2 0 4 29.13 28.87 3.0652 0 2 2 4 29.47 16.14 3.0307 1 2 1 8 30.11 100.00 2.9682 1 1 2 8 35.63 25.69 2.5201 1 3 0 4 37.22 5.95 2.4158 1 0 3 4 37.24 21.37 2.4145 1 3 1 8 37.83 55.69 2.3782 0 2 3 4 38.04 1.11 2.3658 2 0 0 2 38.61 5.92 2.3320 1 1 3 8 39.40 1.79 2.2870 2 1 0 4 40.39 9.21 2.2332 0 4 0 2 40.89 16.30 2.2071 2 1 1 8 41.85 4.07 2.1587 0 4 1 4 42.55 54.70 2.1249 1 2 3 8 43.28 30.79 2.0906 2 2 0 4 44.88 4.79 2.0196 1 4 0 4 45.11 6.13 2.0101 2 1 2 8 45.99 4.93 1.9733 0 4 2 4 46.22 5.50 1.9640 1 4 1 8 48.37 23.21 1.8817 1 1 4 8 48.53 24.83 1.8760 1 3 3 8 49.19 10.41 1.8523 2 3 0 4 50.09 6.27 1.8212 1 4 2 8 50.44 4.71 1.8091 2 3 1 8 54.08 22.90 1.6957 2 3 2 8 54.73 9.31 1.6772 2 2 3 8 54.93 1.23 1.6714 1 5 0 4 56.08 15.90 1.6399 1 4 3 8 56.68 3.81 1.6240 2 4 0 4 57.82 1.54 1.5946 2 4 1 8 59.09 2.33 1.5634 1 1 5 8 59.67 7.68 1.5497 2 1 4 8 59.80 21.45 1.5465 2 3 3 8 60.40 3.22 1.5326 0 4 4 4 61.16 1.28 1.5153 2 4 2 8 62.03 1.33 1.4962 1 2 5 8 62.45 11.95 1.4872 3 2 0 4 63.45 5.57 1.4661 0 6 1 4 63.52 2.09 1.4646 3 2 1 8 63.84 2.59 1.4580 1 4 4 8 63.87 2.92 1.4574 3 1 2 8 64.92 39.11 1.4364 1 5 3 8 65.47 23.88 1.4257 2 5 0 4 66.50 1.02 1.4060 2 4 3 8 66.52 3.01 1.4057 2 5 1 8 66.57 24.81 1.4048 0 0 6 2 66.76 7.63 1.4012 1 3 5 8 67.30 4.92 1.3912 2 3 4 8 68.19 42.03 1.3753 3 0 3 4 69.24 5.48 1.3569 2 1 5 8 69.90 5.93 1.3458 1 6 2 8 71.75 3.20 1.3155 0 6 3 4 73.44 6.95 1.2893 1 2 6 8 73.64 2.14 1.2863 2 4 4 8 74.51 2.44 1.2735 3 4 1 8 74.65 2.60 1.2714 2 5 3 8 74.93 6.61 1.2674 1 6 3 8 75.44 3.04 1.2601 2 6 0 4 76.14 2.10 1.2502 3 1 4 8 76.43 2.26 1.2462 2 6 1 8 77.47 5.54 1.2321 1 7 0 4 77.47 1.62 1.2320 3 4 2 8 77.85 5.16 1.2270 1 3 6 8 78.69 2.23 1.2159 0 6 4 4 81.34 1.68 1.1829 4 0 0 2 81.78 2.92 1.1777 1 6 4 8 82.78 3.26 1.1660 2 2 6 8 83.17 5.56 1.1615 4 1 1 8 83.56 3.33 1.1571 1 1 7 8 87.06 1.63 1.1193 2 3 6 8 87.33 3.27 1.1166 0 8 0 2 87.39 2.61 1.1159 0 6 5 4 87.46 2.94 1.1152 3 2 5 8 88.62 1.71 1.1036 4 2 2 8 89.06 1.26 1.0993 4 3 0 4 89.08 1.29 1.0991 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.