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: 25 tons, P = 1.9 GPa _database_code_amcsd 0004519 CELL PARAMETERS: 4.7129 8.9046 8.3802 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 351.688 Density (g/cm3): 3.400 MAX. ABS. INTENSITY / VOLUME**2: 6.704805728 RIR: 0.642 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.94 5.26 4.4523 0 2 0 2 21.33 6.78 4.1655 1 1 0 4 22.61 5.93 3.9318 0 2 1 4 23.86 68.73 3.7301 1 1 1 8 27.56 84.34 3.2365 1 2 0 4 29.27 28.96 3.0513 0 2 2 4 29.59 17.94 3.0191 1 2 1 8 30.25 100.00 2.9541 1 1 2 8 35.75 26.98 2.5116 1 3 0 4 37.38 21.75 2.4059 1 3 1 8 37.42 6.86 2.4030 1 0 3 4 38.03 55.34 2.3662 0 2 3 4 38.82 7.09 2.3200 1 1 3 8 39.56 1.78 2.2780 2 1 0 4 40.52 9.77 2.2262 0 4 0 2 41.06 16.91 2.1983 2 1 1 8 41.99 5.09 2.1515 0 4 1 4 42.76 62.01 2.1147 1 2 3 8 43.45 33.20 2.0827 2 2 0 4 45.04 4.99 2.0129 1 4 0 4 45.31 6.58 2.0014 2 1 2 8 46.18 3.77 1.9659 0 4 2 4 46.39 5.91 1.9572 1 4 1 8 48.65 25.15 1.8716 1 1 4 8 48.76 23.07 1.8677 1 3 3 8 49.38 10.01 1.8456 2 3 0 4 50.29 6.88 1.8144 1 4 2 8 50.65 6.18 1.8024 2 3 1 8 54.32 21.75 1.6890 2 3 2 8 54.99 8.64 1.6697 2 2 3 8 56.34 16.26 1.6331 1 4 3 8 56.90 3.16 1.6182 2 4 0 4 58.05 1.61 1.5889 2 4 1 8 59.45 1.81 1.5549 1 1 5 8 59.99 8.77 1.5421 2 1 4 8 60.09 22.36 1.5398 2 3 3 8 60.70 3.30 1.5257 0 4 4 4 61.42 1.01 1.5096 2 4 2 8 62.39 1.43 1.4883 1 2 5 8 62.72 11.03 1.4815 3 2 0 4 63.68 5.46 1.4614 0 6 1 4 63.80 2.13 1.4588 3 2 1 8 64.16 2.83 1.4515 1 4 4 8 64.17 3.32 1.4513 3 1 2 8 65.20 40.25 1.4308 1 5 3 8 65.72 25.11 1.4208 2 5 0 4 66.78 2.78 1.4008 2 5 1 8 66.81 1.16 1.4002 2 4 3 8 66.88 1.31 1.3989 0 6 2 4 67.00 25.19 1.3967 0 0 6 2 67.14 6.06 1.3941 1 3 5 8 67.65 5.64 1.3849 2 3 4 8 68.53 41.51 1.3693 3 0 3 4 69.65 4.26 1.3500 2 1 5 8 70.18 5.38 1.3411 1 6 2 8 72.06 3.34 1.3106 0 6 3 4 73.91 7.24 1.2824 1 2 6 8 74.02 1.92 1.2807 2 4 4 8 74.84 2.01 1.2688 3 4 1 8 75.00 1.70 1.2664 2 5 3 8 75.26 5.82 1.2627 1 6 3 8 75.74 2.87 1.2558 2 6 0 4 76.55 2.37 1.2445 3 1 4 8 76.74 1.93 1.2419 2 6 1 8 77.76 5.69 1.2281 1 7 0 4 77.83 1.68 1.2273 3 4 2 8 78.33 4.82 1.2207 1 3 6 8 79.07 2.64 1.2110 0 6 4 4 81.73 1.78 1.1782 4 0 0 2 82.18 2.92 1.1729 1 6 4 8 83.30 3.59 1.1600 2 2 6 8 83.58 5.16 1.1569 4 1 1 8 84.14 3.53 1.1506 1 1 7 8 87.61 1.51 1.1137 2 3 6 8 87.67 2.77 1.1131 0 8 0 2 87.87 1.87 1.1111 0 6 5 4 87.98 2.60 1.1100 3 2 5 8 89.08 1.68 1.0991 4 2 2 8 89.56 1.40 1.0945 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.