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: 13 _database_code_amcsd 0007878 CELL PARAMETERS: 6.6211 7.9963 5.4115 90.000 100.228 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 281.955 Density (g/cm3): 2.830 MAX. ABS. INTENSITY / VOLUME**2: 13.65237466 RIR: 1.571 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.56 10.52 5.0512 1 1 0 2 22.23 100.00 3.9982 0 2 0 1 22.53 55.53 3.9461 -1 1 1 2 25.93 25.78 3.4363 1 1 1 2 27.38 39.99 3.2579 2 0 0 2 27.90 7.37 3.1974 0 2 1 2 29.49 11.61 3.0288 -2 0 1 2 33.66 28.61 2.6628 0 0 2 2 34.74 9.05 2.5825 2 0 1 2 35.55 21.90 2.5256 2 2 0 2 35.89 12.12 2.5019 -1 1 2 2 36.42 5.84 2.4670 1 3 0 2 37.24 8.78 2.4143 -2 2 1 2 39.20 11.39 2.2982 -1 3 1 2 40.41 9.29 2.2322 1 1 2 2 40.71 4.53 2.2162 0 2 2 2 41.36 9.50 2.1832 1 3 1 2 43.16 7.38 2.0960 3 1 0 2 43.61 2.98 2.0753 -3 1 1 2 45.37 2.88 1.9991 0 4 0 1 46.00 2.16 1.9731 -2 2 2 2 47.80 4.05 1.9028 2 0 2 2 48.59 2.37 1.8736 -1 3 2 2 48.65 2.94 1.8716 0 4 1 2 50.60 8.40 1.8041 -3 1 2 2 52.21 1.60 1.7519 1 3 2 2 52.21 3.71 1.7519 -1 1 3 2 53.32 5.23 1.7182 2 2 2 2 53.80 1.45 1.7039 2 4 0 2 54.50 1.48 1.6837 3 3 0 2 54.88 6.56 1.6730 -3 3 1 2 55.04 5.54 1.6684 -2 4 1 2 56.03 1.84 1.6414 -4 0 1 2 56.74 1.82 1.6224 0 2 3 2 57.34 2.05 1.6070 1 1 3 2 59.37 2.13 1.5566 -2 2 3 2 59.85 4.00 1.5454 3 3 1 2 60.74 2.22 1.5249 3 1 2 2 60.92 1.94 1.5208 -3 3 2 2 61.02 1.88 1.5184 -4 2 1 2 61.46 4.66 1.5086 4 2 0 2 61.48 7.40 1.5083 -1 5 1 2 62.35 1.82 1.4892 -1 3 3 2 62.52 1.50 1.4857 4 0 1 2 63.05 5.71 1.4744 1 5 1 2 64.03 1.51 1.4541 2 0 3 2 65.96 3.25 1.4162 -4 2 2 2 66.98 3.42 1.3971 1 3 3 2 67.22 1.19 1.3926 4 2 1 2 68.66 1.03 1.3670 -1 5 2 2 70.12 3.33 1.3421 3 3 2 2 70.64 9.17 1.3334 -1 1 4 2 70.68 2.20 1.3327 0 6 0 1 70.77 1.49 1.3314 0 0 4 2 71.01 1.64 1.3274 0 4 3 2 71.62 1.14 1.3176 1 5 2 2 72.52 2.09 1.3035 -5 1 1 2 73.32 2.01 1.2912 4 0 2 2 73.36 2.83 1.2906 -2 4 3 2 73.54 1.48 1.2878 3 5 0 2 73.87 1.17 1.2830 -3 5 1 2 74.85 1.39 1.2686 -4 4 1 2 75.25 2.25 1.2628 4 4 0 2 76.38 4.04 1.2469 -5 1 2 2 76.46 2.04 1.2458 1 1 4 2 77.72 4.00 1.2288 4 2 2 2 78.18 2.59 1.2226 -3 1 4 2 78.39 1.83 1.2199 -2 6 1 2 79.13 1.66 1.2104 -3 5 2 2 79.38 3.51 1.2071 -4 4 2 2 79.47 1.53 1.2060 -1 3 4 2 80.41 2.42 1.1942 -1 5 3 2 80.61 3.41 1.1918 0 6 2 2 81.27 1.43 1.1837 -5 3 1 2 84.60 2.29 1.1454 3 3 3 2 84.63 2.50 1.1451 1 5 3 2 85.02 1.55 1.1409 -5 1 3 2 87.55 2.67 1.1143 3 5 2 2 89.90 1.06 1.0912 -4 2 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.