SiO2 Boisen M B, Gibbs G V, Bukowinski M S T Physics and Chemistry of Minerals 21 (1994) 269-284 Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 8 _database_code_amcsd 0007873 CELL PARAMETERS: 8.8664 4.7482 8.7918 90.000 115.413 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 334.314 Density (g/cm3): 2.387 MAX. ABS. INTENSITY / VOLUME**2: 10.08270106 RIR: 1.375 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.76 25.10 4.0843 1 1 0 4 22.19 100.00 4.0061 -1 1 1 4 22.20 96.00 4.0042 2 0 0 2 22.39 92.22 3.9705 0 0 2 2 27.70 97.77 3.2210 -1 1 2 4 34.79 5.51 2.5788 1 1 2 4 35.93 60.62 2.4996 -3 1 1 4 36.17 1.02 2.4831 -1 1 3 4 36.74 1.43 2.4460 -3 1 2 4 38.16 3.08 2.3584 2 0 2 2 39.62 5.06 2.2746 0 2 1 4 40.85 1.26 2.2090 -4 0 2 2 40.96 1.22 2.2036 -3 1 3 4 41.18 1.35 2.1920 -2 0 4 2 44.36 5.78 2.0421 2 2 0 4 44.46 5.18 2.0376 0 2 2 4 44.48 6.98 2.0369 3 1 1 4 45.29 2.67 2.0021 4 0 0 2 45.70 2.33 1.9853 0 0 4 2 46.26 26.51 1.9623 -1 1 4 4 48.39 7.52 1.8810 2 2 1 4 50.09 10.05 1.8211 -2 2 3 4 52.49 1.13 1.7432 3 1 2 4 55.74 4.97 1.6492 1 1 4 4 56.94 2.29 1.6172 -4 2 2 4 56.95 10.20 1.6168 -5 1 1 4 57.20 1.55 1.6105 -2 2 4 4 57.46 2.60 1.6038 -4 2 1 4 57.47 1.51 1.6035 -1 1 5 4 58.97 14.09 1.5662 -4 2 3 4 61.06 2.26 1.5177 5 1 0 4 61.83 1.51 1.5005 1 3 1 4 62.20 1.18 1.4926 3 1 3 4 62.38 2.28 1.4887 -1 3 2 4 63.26 6.43 1.4700 -6 0 2 2 63.31 7.16 1.4689 2 2 3 4 63.91 6.27 1.4566 -2 0 6 2 65.82 1.74 1.4189 4 2 1 4 66.16 6.67 1.4124 -2 2 5 4 66.45 3.12 1.4069 1 3 2 4 67.17 2.23 1.3936 -3 3 1 4 67.33 2.32 1.3907 -1 3 3 4 67.36 2.74 1.3901 5 1 1 4 67.69 3.22 1.3841 -3 3 2 4 67.83 2.60 1.3816 1 1 5 4 68.98 2.00 1.3614 3 3 0 4 69.73 2.45 1.3486 -1 1 6 4 69.99 7.51 1.3442 -4 2 5 4 70.52 1.87 1.3354 -3 3 3 4 70.56 2.15 1.3347 6 0 0 2 71.25 2.20 1.3235 0 0 6 2 73.04 3.56 1.2955 3 3 1 4 73.36 1.37 1.2906 3 1 4 4 74.36 2.04 1.2756 -1 3 4 4 75.54 1.18 1.2586 -3 3 4 4 75.63 1.86 1.2573 5 1 2 4 76.05 4.21 1.2514 -6 2 3 4 78.50 2.06 1.2184 -6 2 1 4 78.83 3.06 1.2142 -3 1 7 4 79.14 1.58 1.2101 -7 1 2 4 79.24 3.67 1.2089 -7 1 4 4 81.00 1.48 1.1870 0 4 0 2 81.65 1.45 1.1792 4 0 4 2 81.88 3.53 1.1765 1 3 4 4 82.42 1.49 1.1702 -6 2 5 4 82.51 4.61 1.1692 4 2 3 4 83.00 3.24 1.1634 -5 1 7 4 85.22 1.21 1.1387 2 2 5 4 85.28 2.40 1.1381 2 4 0 4 85.35 2.36 1.1373 0 4 2 4 85.77 1.22 1.1328 5 1 3 4 85.92 1.28 1.1312 -2 4 2 4 86.06 1.25 1.1297 3 1 5 4 88.03 1.97 1.1095 -7 1 6 4 89.09 1.46 1.0991 -2 2 7 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.