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: 15 tons, P = 0.7 GPa _database_code_amcsd 0004518 CELL PARAMETERS: 4.7248 8.9250 8.4100 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 354.640 Density (g/cm3): 3.372 MAX. ABS. INTENSITY / VOLUME**2: 6.682144055 RIR: 0.645 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.90 4.41 4.4625 0 2 0 2 21.28 6.79 4.1758 1 1 0 4 22.56 5.53 3.9419 0 2 1 4 23.79 70.66 3.7401 1 1 1 8 27.49 84.87 3.2442 1 2 0 4 29.18 29.82 3.0604 0 2 2 4 29.51 17.80 3.0268 1 2 1 8 30.16 100.00 2.9630 1 1 2 8 35.66 23.96 2.5175 1 3 0 4 37.28 19.51 2.4118 1 3 1 8 37.30 6.39 2.4109 1 0 3 4 37.90 55.98 2.3738 0 2 3 4 38.69 6.80 2.3275 1 1 3 8 39.46 2.17 2.2838 2 1 0 4 40.43 9.92 2.2313 0 4 0 2 40.95 14.35 2.2039 2 1 1 8 41.89 5.43 2.1566 0 4 1 4 42.62 62.87 2.1211 1 2 3 8 43.34 33.57 2.0879 2 2 0 4 44.93 4.50 2.0176 1 4 0 4 45.18 6.15 2.0069 2 1 2 8 46.05 3.15 1.9710 0 4 2 4 46.28 5.09 1.9619 1 4 1 8 48.48 23.74 1.8779 1 1 4 8 48.61 22.56 1.8731 1 3 3 8 49.25 9.34 1.8501 2 3 0 4 50.15 7.47 1.8190 1 4 2 8 50.51 6.40 1.8068 2 3 1 8 54.16 22.69 1.6934 2 3 2 8 54.82 8.86 1.6745 2 2 3 8 56.17 15.74 1.6376 1 4 3 8 56.75 3.41 1.6221 2 4 0 4 57.90 1.44 1.5928 2 4 1 8 59.22 1.81 1.5602 1 1 5 8 59.79 8.79 1.5468 2 1 4 8 59.90 20.15 1.5441 2 3 3 8 60.50 2.96 1.5302 0 4 4 4 61.25 1.08 1.5134 2 4 2 8 62.17 1.61 1.4932 1 2 5 8 62.54 10.82 1.4852 3 2 0 4 63.51 4.47 1.4648 0 6 1 4 63.62 1.78 1.4625 3 2 1 8 63.95 2.83 1.4557 1 4 4 8 63.98 3.73 1.4551 3 1 2 8 65.01 38.50 1.4346 1 5 3 8 65.55 24.38 1.4242 2 5 0 4 66.60 3.13 1.4042 2 5 1 8 66.70 1.37 1.4023 0 6 2 4 66.73 24.16 1.4017 0 0 6 2 66.90 6.11 1.3986 1 3 5 8 67.43 4.74 1.3889 2 3 4 8 68.31 39.35 1.3731 3 0 3 4 69.39 3.87 1.3543 2 1 5 8 69.98 4.78 1.3444 1 6 2 8 70.06 1.01 1.3431 0 4 5 4 71.85 2.94 1.3140 0 6 3 4 73.62 6.85 1.2867 1 2 6 8 73.78 1.93 1.2843 2 4 4 8 74.62 1.67 1.2719 3 4 1 8 74.77 1.56 1.2697 2 5 3 8 75.03 6.13 1.2659 1 6 3 8 75.53 2.74 1.2588 2 6 0 4 76.29 2.58 1.2481 3 1 4 8 76.53 1.66 1.2449 2 6 1 8 77.55 5.93 1.2310 1 7 0 4 77.60 1.68 1.2304 3 4 2 8 78.03 4.13 1.2246 1 3 6 8 78.82 2.87 1.2143 0 6 4 4 81.48 1.69 1.1812 4 0 0 2 81.91 2.47 1.1761 1 6 4 8 82.97 3.78 1.1637 2 2 6 8 83.32 4.88 1.1598 4 1 1 8 83.78 3.49 1.1546 1 1 7 8 87.27 1.25 1.1172 2 3 6 8 87.42 2.71 1.1156 0 8 0 2 87.55 1.53 1.1143 0 6 5 4 87.65 2.49 1.1133 3 2 5 8 88.79 1.85 1.1020 4 2 2 8 89.21 1.07 1.0978 4 3 0 4 89.25 1.22 1.0975 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.