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: 58 tons, P = 6.2 GPa _database_code_amcsd 0004522 CELL PARAMETERS: 4.6755 8.8410 8.2823 90.000 90.000 90.000 SPACE GROUP: Pbnm X-RAY WAVELENGTH: 1.541838 Cell Volume: 342.358 Density (g/cm3): 3.493 MAX. ABS. INTENSITY / VOLUME**2: 6.098351194 RIR: 0.568 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 20.09 6.90 4.4205 0 2 0 2 21.46 1.54 4.1411 0 0 2 2 21.50 9.42 4.1331 1 1 0 4 22.80 8.43 3.8998 0 2 1 4 24.06 80.36 3.6982 1 1 1 8 27.77 92.14 3.2121 1 2 0 4 29.56 27.96 3.0222 0 2 2 4 29.83 19.41 2.9948 1 2 1 8 30.56 100.00 2.9254 1 1 2 8 36.02 28.99 2.4931 1 3 0 4 37.68 29.63 2.3873 1 3 1 8 37.84 8.08 2.3773 1 0 3 4 38.44 61.89 2.3416 0 2 3 4 39.24 8.98 2.2957 1 1 3 8 39.89 1.88 2.2601 2 1 0 4 40.83 10.06 2.2102 0 4 0 2 41.41 20.88 2.1804 2 1 1 8 42.32 6.46 2.1355 0 4 1 4 43.21 67.91 2.0937 1 2 3 8 43.81 35.91 2.0666 2 2 0 4 45.39 5.58 1.9982 1 4 0 4 45.73 6.43 1.9839 2 1 2 8 46.58 3.65 1.9499 0 4 2 4 46.77 6.12 1.9425 1 4 1 8 49.22 31.56 1.8513 1 1 4 8 49.25 25.13 1.8503 1 3 3 8 49.79 11.76 1.8315 2 3 0 4 50.73 6.60 1.7997 1 4 2 8 51.07 7.48 1.7883 2 3 1 8 54.81 21.05 1.6750 2 3 2 8 55.55 8.64 1.6544 2 2 3 8 56.88 18.75 1.6187 1 4 3 8 57.37 3.61 1.6061 2 4 0 4 58.54 1.86 1.5767 2 4 1 8 60.18 1.30 1.5376 1 1 5 8 60.66 10.26 1.5267 2 1 4 8 60.68 24.11 1.5262 2 3 3 8 61.35 4.12 1.5111 0 4 4 4 63.27 12.24 1.4698 3 2 0 4 64.20 6.15 1.4507 0 6 1 4 64.38 2.52 1.4472 3 2 1 8 64.78 3.04 1.4392 3 1 2 8 64.85 2.91 1.4379 1 4 4 8 65.83 42.52 1.4188 1 5 3 8 66.28 25.88 1.4102 2 5 0 4 67.36 4.13 1.3902 2 5 1 8 67.47 1.44 1.3882 2 4 3 8 67.47 1.34 1.3882 0 6 2 4 67.90 26.56 1.3804 0 0 6 2 67.94 4.98 1.3797 1 3 5 8 68.38 8.50 1.3718 2 3 4 8 69.23 44.37 1.3572 3 0 3 4 70.48 3.43 1.3360 2 1 5 8 70.80 4.85 1.3308 1 6 2 8 72.75 4.05 1.2999 0 6 3 4 74.81 2.00 1.2691 2 4 4 8 74.87 7.24 1.2682 1 2 6 8 75.52 2.34 1.2589 3 4 1 8 75.74 1.70 1.2559 2 5 3 8 75.98 7.18 1.2524 1 6 3 8 76.41 3.47 1.2465 2 6 0 4 77.40 2.62 1.2330 3 1 4 8 77.42 1.91 1.2327 2 6 1 8 78.43 5.69 1.2193 1 7 0 4 78.58 1.77 1.2174 3 4 2 8 79.34 4.79 1.2076 1 3 6 8 79.90 2.64 1.2005 0 6 4 4 82.53 1.91 1.1689 4 0 0 2 83.05 3.50 1.1628 1 6 4 8 84.38 3.57 1.1479 2 2 6 8 84.41 5.53 1.1476 4 1 1 8 85.33 4.18 1.1375 1 1 7 8 85.50 1.02 1.1357 1 4 6 8 88.47 3.14 1.1051 0 8 0 2 88.75 1.81 1.1023 2 3 6 8 88.89 1.24 1.1009 0 6 5 4 89.05 2.45 1.0994 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.