Topaz Northrup P A, Leinenweber K, Parise J B American Mineralogist 79 (1994) 401-404 The location of H in the high-pressure synthetic Al2SiO4(OH)2 topaz analogue Sample OH synthetic _database_code_amcsd 0001643 CELL PARAMETERS: 4.7203 8.9207 8.4189 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 354.506 Density (g/cm3): 3.373 MAX. ABS. INTENSITY / VOLUME**2: 7.140114066 RIR: 0.689 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 19.91 5.78 4.4604 0 2 0 2 21.30 7.27 4.1722 1 1 0 4 22.56 3.92 3.9414 0 2 1 4 23.80 64.34 3.7383 1 1 1 8 27.51 76.75 3.2419 1 2 0 4 29.17 29.29 3.0614 0 2 2 4 29.53 17.13 3.0254 1 2 1 8 30.16 100.00 2.9633 1 1 2 8 35.69 23.78 2.5160 1 3 0 4 37.28 6.18 2.4122 1 0 3 4 37.30 20.83 2.4106 1 3 1 8 37.88 55.55 2.3753 0 2 3 4 38.13 1.01 2.3602 2 0 0 2 38.67 7.14 2.3286 1 1 3 8 39.50 1.87 2.2816 2 1 0 4 40.45 8.87 2.2302 0 4 0 2 40.98 14.22 2.2022 2 1 1 8 41.91 5.28 2.1558 0 4 1 4 42.61 55.34 2.1218 1 2 3 8 43.38 31.48 2.0861 2 2 0 4 44.95 4.89 2.0164 1 4 0 4 45.20 7.77 2.0059 2 1 2 8 46.06 4.78 1.9707 0 4 2 4 46.30 4.79 1.9610 1 4 1 8 48.44 22.21 1.8792 1 1 4 8 48.60 23.93 1.8733 1 3 3 8 49.29 9.51 1.8486 2 3 0 4 50.16 6.71 1.8186 1 4 2 8 50.55 5.30 1.8056 2 3 1 8 54.19 22.80 1.6926 2 3 2 8 54.83 9.02 1.6742 2 2 3 8 56.17 16.27 1.6375 1 4 3 8 56.80 3.45 1.6210 2 4 0 4 57.94 1.43 1.5917 2 4 1 8 58.17 1.05 1.5859 1 0 5 4 59.17 2.67 1.5614 1 1 5 8 59.59 1.02 1.5514 1 5 2 8 59.78 6.88 1.5470 2 1 4 8 59.92 19.73 1.5438 2 3 3 8 60.48 2.15 1.5307 0 4 4 4 61.28 1.02 1.5127 2 4 2 8 62.12 1.01 1.4943 1 2 5 8 62.60 11.70 1.4838 3 2 0 4 63.54 4.78 1.4641 0 6 1 4 63.68 1.81 1.4613 3 2 1 8 63.94 2.46 1.4561 1 4 4 8 64.03 3.36 1.4541 3 1 2 8 65.02 38.72 1.4344 1 5 3 8 65.59 23.41 1.4232 2 5 0 4 66.64 3.61 1.4033 2 5 1 8 66.65 24.57 1.4031 0 0 6 2 66.72 1.18 1.4019 0 6 2 4 66.86 7.53 1.3993 1 3 5 8 67.43 5.09 1.3889 2 3 4 8 68.35 40.29 1.3724 3 0 3 4 69.36 5.45 1.3548 2 1 5 8 70.01 5.21 1.3439 1 6 2 8 70.02 1.21 1.3438 0 4 5 4 71.86 3.22 1.3138 0 6 3 4 73.55 7.05 1.2877 1 2 6 8 73.78 1.82 1.2842 2 4 4 8 74.69 1.83 1.2709 3 4 1 8 74.80 1.95 1.2693 2 5 3 8 75.05 6.55 1.2657 1 6 3 8 75.59 3.06 1.2580 2 6 0 4 76.31 2.41 1.2478 3 1 4 8 76.53 1.09 1.2448 2 3 5 8 76.58 1.66 1.2442 2 6 1 8 77.60 5.95 1.2303 1 7 0 4 77.65 1.93 1.2296 3 4 2 8 77.97 4.64 1.2255 1 3 6 8 78.82 2.42 1.2144 0 6 4 4 81.58 1.72 1.1801 4 0 0 2 81.92 2.31 1.1761 1 6 4 8 82.93 3.47 1.1643 2 2 6 8 83.41 5.27 1.1587 4 1 1 8 83.69 2.68 1.1556 1 1 7 8 87.22 1.40 1.1177 2 3 6 8 87.47 2.95 1.1151 0 8 0 2 87.53 2.25 1.1145 0 6 5 4 87.66 2.68 1.1132 3 2 5 8 88.88 1.62 1.1011 4 2 2 8 89.28 1.41 1.0972 3 4 4 8 89.31 1.16 1.0969 4 3 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.