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: 70 tons, P = 7.5 GPa _database_code_amcsd 0004523 CELL PARAMETERS: 4.6658 8.8210 8.2573 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 339.846 Density (g/cm3): 3.519 MAX. ABS. INTENSITY / VOLUME**2: 6.281988226 RIR: 0.581 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.13 7.87 4.4105 0 2 0 2 21.55 8.28 4.1244 1 1 0 4 22.86 9.18 3.8903 0 2 1 4 24.12 76.44 3.6897 1 1 1 8 27.84 80.22 3.2052 1 2 0 4 29.64 25.79 3.0141 0 2 2 4 29.90 18.95 2.9880 1 2 1 8 30.64 100.00 2.9179 1 1 2 8 36.11 29.21 2.4876 1 3 0 4 37.77 28.41 2.3818 1 3 1 8 37.95 6.47 2.3707 1 0 3 4 38.56 61.25 2.3350 0 2 3 4 38.59 1.02 2.3329 2 0 0 2 39.36 7.90 2.2894 1 1 3 8 39.98 2.38 2.2554 2 1 0 4 40.92 10.59 2.2053 0 4 0 2 41.51 20.65 2.1757 2 1 1 8 42.43 4.30 2.1306 0 4 1 4 43.33 65.23 2.0881 1 2 3 8 43.90 35.86 2.0622 2 2 0 4 45.49 4.73 1.9938 1 4 0 4 45.85 6.07 1.9793 2 1 2 8 46.70 3.81 1.9452 0 4 2 4 46.88 5.74 1.9381 1 4 1 8 49.37 27.86 1.8460 1 1 4 8 49.38 26.70 1.8455 1 3 3 8 49.90 10.89 1.8275 2 3 0 4 50.86 6.75 1.7954 1 4 2 8 51.19 5.58 1.7844 2 3 1 8 54.94 19.74 1.6711 2 3 2 8 55.70 9.30 1.6504 2 2 3 8 57.04 16.34 1.6147 1 4 3 8 57.51 4.25 1.6026 2 4 0 4 58.68 1.88 1.5732 2 4 1 8 60.38 1.49 1.5331 1 1 5 8 60.83 8.15 1.5228 2 1 4 8 60.84 20.33 1.5225 2 3 3 8 61.53 3.63 1.5071 0 4 4 4 62.13 1.18 1.4940 2 4 2 8 63.35 1.14 1.4680 1 2 5 8 63.42 11.61 1.4667 3 2 0 4 64.37 5.37 1.4474 0 6 1 4 64.53 2.13 1.4441 3 2 1 8 64.94 2.55 1.4360 3 1 2 8 65.04 2.91 1.4341 1 4 4 8 66.01 38.78 1.4153 1 5 3 8 66.44 23.96 1.4071 2 5 0 4 67.53 3.06 1.3871 2 5 1 8 67.65 1.13 1.3850 0 6 2 4 68.14 25.02 1.3762 0 0 6 2 68.16 4.90 1.3759 1 3 5 8 68.58 6.95 1.3684 2 3 4 8 69.41 42.53 1.3541 3 0 3 4 70.70 3.38 1.3324 2 1 5 8 70.99 5.13 1.3277 1 6 2 8 72.95 2.99 1.2968 0 6 3 4 75.03 2.10 1.2659 2 4 4 8 75.13 5.99 1.2646 1 2 6 8 75.71 2.09 1.2562 3 4 1 8 75.95 1.78 1.2529 2 5 3 8 76.20 7.10 1.2494 1 6 3 8 76.61 3.24 1.2438 2 6 0 4 77.62 1.84 1.2300 3 1 4 8 77.63 2.35 1.2299 2 6 1 8 78.65 4.98 1.2166 1 7 0 4 78.79 1.30 1.2147 3 4 2 8 79.61 4.42 1.2042 1 3 6 8 80.15 2.03 1.1975 0 6 4 4 82.74 1.28 1.1665 4 0 0 2 83.31 3.38 1.1599 1 6 4 8 84.62 4.96 1.1452 4 1 1 8 84.67 3.69 1.1447 2 2 6 8 85.65 3.34 1.1341 1 1 7 8 88.72 3.00 1.1026 0 8 0 2 89.05 1.69 1.0994 2 3 6 8 89.18 1.30 1.0981 0 6 5 4 89.33 2.02 1.0967 3 2 5 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.