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: 46 tons, P = 4.7 GPa _database_code_amcsd 0004521 CELL PARAMETERS: 4.6888 8.8624 8.3147 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 345.509 Density (g/cm3): 3.461 MAX. ABS. INTENSITY / VOLUME**2: 6.249271981 RIR: 0.588 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.04 6.10 4.4312 0 2 0 2 21.44 7.05 4.1445 1 1 0 4 22.74 9.04 3.9105 0 2 1 4 23.99 77.07 3.7092 1 1 1 8 27.70 85.93 3.2206 1 2 0 4 29.46 26.75 3.0319 0 2 2 4 29.75 20.86 3.0031 1 2 1 8 30.45 100.00 2.9351 1 1 2 8 35.93 30.62 2.4994 1 3 0 4 37.58 25.97 2.3936 1 3 1 8 37.70 6.80 2.3859 1 0 3 4 38.30 58.99 2.3498 0 2 3 4 39.10 8.23 2.3039 1 1 3 8 39.77 2.04 2.2664 2 1 0 4 40.72 10.91 2.2156 0 4 0 2 41.29 19.81 2.1867 2 1 1 8 42.21 4.93 2.1409 0 4 1 4 43.06 66.94 2.1007 1 2 3 8 43.68 37.58 2.0722 2 2 0 4 45.27 5.07 2.0032 1 4 0 4 45.59 5.86 1.9899 2 1 2 8 46.44 3.22 1.9553 0 4 2 4 46.64 6.31 1.9475 1 4 1 8 49.03 30.41 1.8581 1 1 4 8 49.08 26.04 1.8561 1 3 3 8 49.64 10.09 1.8364 2 3 0 4 50.58 7.07 1.8046 1 4 2 8 50.92 7.10 1.7932 2 3 1 8 54.64 20.44 1.6798 2 3 2 8 55.36 9.07 1.6596 2 2 3 8 56.70 16.88 1.6235 1 4 3 8 57.21 3.68 1.6103 2 4 0 4 58.37 1.66 1.5809 2 4 1 8 59.94 1.10 1.5433 1 1 5 8 60.43 9.69 1.5319 2 1 4 8 60.48 22.46 1.5308 2 3 3 8 61.13 4.30 1.5159 0 4 4 4 61.78 1.14 1.5016 2 4 2 8 62.90 1.40 1.4776 1 2 5 8 63.07 11.61 1.4739 3 2 0 4 64.02 6.03 1.4543 0 6 1 4 64.17 2.28 1.4513 3 2 1 8 64.56 3.40 1.4434 3 1 2 8 64.61 3.28 1.4424 1 4 4 8 65.62 41.65 1.4228 1 5 3 8 66.08 26.24 1.4139 2 5 0 4 67.16 2.92 1.3939 2 5 1 8 67.27 1.36 1.3918 0 6 2 4 67.60 26.43 1.3858 0 0 6 2 67.67 4.45 1.3845 1 3 5 8 68.13 7.79 1.3762 2 3 4 8 68.98 43.76 1.3614 3 0 3 4 70.20 2.93 1.3408 2 1 5 8 70.59 5.29 1.3343 1 6 2 8 72.52 3.30 1.3035 0 6 3 4 74.54 2.28 1.2730 2 4 4 8 74.55 6.68 1.2729 1 2 6 8 75.28 2.13 1.2623 3 4 1 8 75.48 1.50 1.2595 2 5 3 8 75.74 6.57 1.2559 1 6 3 8 76.18 3.15 1.2497 2 6 0 4 77.10 2.52 1.2370 3 1 4 8 77.19 2.28 1.2358 2 6 1 8 78.21 5.55 1.2223 1 7 0 4 78.32 1.46 1.2208 3 4 2 8 79.00 4.81 1.2120 1 3 6 8 79.62 2.55 1.2040 0 6 4 4 82.24 1.60 1.1722 4 0 0 2 82.76 3.78 1.1662 1 6 4 8 84.02 4.24 1.1519 2 2 6 8 84.11 5.38 1.1509 4 1 1 8 84.93 4.07 1.1418 1 1 7 8 88.20 2.98 1.1078 0 8 0 2 88.36 1.58 1.1062 2 3 6 8 88.55 1.29 1.1043 0 6 5 4 88.68 2.15 1.1030 3 2 5 8 89.68 1.81 1.0933 4 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.