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: P = 0.0001 GPa _database_code_amcsd 0004516 CELL PARAMETERS: 4.7279 8.9269 8.4214 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 355.429 Density (g/cm3): 3.354 MAX. ABS. INTENSITY / VOLUME**2: 7.282966794 RIR: 0.707 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.89 6.24 4.4634 0 2 0 2 21.27 6.89 4.1781 1 1 0 4 22.55 3.90 3.9438 0 2 1 4 23.77 64.30 3.7428 1 1 1 8 27.48 75.33 3.2456 1 2 0 4 29.16 28.11 3.0629 0 2 2 4 29.49 16.13 3.0285 1 2 1 8 30.13 100.00 2.9658 1 1 2 8 35.65 23.81 2.5184 1 3 0 4 37.25 5.63 2.4137 1 0 3 4 37.27 19.72 2.4128 1 3 1 8 37.86 53.68 2.3763 0 2 3 4 38.07 1.18 2.3640 2 0 0 2 38.64 6.54 2.3301 1 1 3 8 39.43 1.89 2.2852 2 1 0 4 40.42 8.83 2.2317 0 4 0 2 40.92 13.78 2.2054 2 1 1 8 41.88 5.15 2.1573 0 4 1 4 42.58 54.76 2.1232 1 2 3 8 43.31 31.62 2.0890 2 2 0 4 44.91 4.70 2.0182 1 4 0 4 45.14 7.15 2.0085 2 1 2 8 46.03 4.35 1.9719 0 4 2 4 46.26 4.71 1.9626 1 4 1 8 48.41 21.81 1.8801 1 1 4 8 48.57 22.84 1.8746 1 3 3 8 49.23 8.81 1.8509 2 3 0 4 50.12 6.91 1.8199 1 4 2 8 50.48 5.07 1.8078 2 3 1 8 54.13 22.93 1.6945 2 3 2 8 54.77 9.31 1.6759 2 2 3 8 56.13 15.45 1.6386 1 4 3 8 56.73 3.39 1.6228 2 4 0 4 57.87 1.45 1.5935 2 4 1 8 59.14 2.58 1.5621 1 1 5 8 59.72 6.90 1.5484 2 1 4 8 59.85 19.13 1.5453 2 3 3 8 60.45 2.19 1.5314 0 4 4 4 61.21 1.10 1.5142 2 4 2 8 62.09 1.27 1.4950 1 2 5 8 62.50 11.50 1.4861 3 2 0 4 63.50 4.72 1.4651 0 6 1 4 63.58 1.93 1.4634 3 2 1 8 63.90 2.57 1.4569 1 4 4 8 63.93 3.31 1.4562 3 1 2 8 64.97 38.91 1.4354 1 5 3 8 65.52 23.38 1.4247 2 5 0 4 66.57 3.34 1.4047 2 5 1 8 66.63 24.25 1.4036 0 0 6 2 66.67 1.23 1.4028 0 6 2 4 66.82 7.58 1.4000 1 3 5 8 67.36 4.90 1.3901 2 3 4 8 68.25 40.34 1.3742 3 0 3 4 69.31 5.24 1.3558 2 1 5 8 69.95 5.17 1.3449 1 6 2 8 69.98 1.21 1.3444 0 4 5 4 71.81 2.93 1.3146 0 6 3 4 73.51 6.85 1.2883 1 2 6 8 73.71 1.84 1.2853 2 4 4 8 74.57 1.72 1.2726 3 4 1 8 74.72 1.82 1.2704 2 5 3 8 74.99 6.43 1.2665 1 6 3 8 75.50 3.02 1.2592 2 6 0 4 76.21 2.33 1.2492 3 1 4 8 76.46 1.05 1.2457 2 3 5 8 76.49 1.78 1.2453 2 6 1 8 77.53 6.03 1.2313 1 7 0 4 77.54 2.03 1.2311 3 4 2 8 77.92 4.58 1.2260 1 3 6 8 78.76 2.50 1.2150 0 6 4 4 81.42 1.60 1.1820 4 0 0 2 81.59 1.02 1.1799 2 5 4 8 81.85 2.32 1.1768 1 6 4 8 82.86 3.57 1.1650 2 2 6 8 83.25 5.42 1.1606 4 1 1 8 83.65 2.76 1.1561 1 1 7 8 83.98 1.02 1.1523 1 4 6 8 87.15 1.22 1.1184 2 3 6 8 87.40 2.79 1.1159 0 8 0 2 87.48 2.27 1.1151 0 6 5 4 87.55 2.86 1.1143 3 2 5 8 88.71 1.77 1.1027 4 2 2 8 89.14 1.20 1.0985 4 3 0 4 89.16 1.47 1.0983 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.