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: 23 _database_code_amcsd 0007888 CELL PARAMETERS: 4.1605 4.1294 7.4211 90.000 101.375 90.000 SPACE GROUP: P2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 124.993 Density (g/cm3): 3.192 MAX. ABS. INTENSITY / VOLUME**2: 8.123059336 RIR: 0.829 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.17 5.79 7.2753 0 0 1 2 21.52 66.55 4.1294 0 1 0 1 21.79 26.24 4.0788 1 0 0 2 22.80 56.29 3.9011 -1 0 1 2 24.47 100.00 3.6377 0 0 2 2 24.79 43.24 3.5912 0 1 1 2 27.09 2.76 3.2916 1 0 1 2 29.50 59.37 3.0276 -1 0 2 2 30.81 44.85 2.9019 1 1 0 2 31.55 72.15 2.8358 -1 1 1 2 32.81 5.83 2.7296 0 1 2 2 34.86 35.99 2.5739 1 1 1 2 36.18 18.29 2.4825 1 0 2 2 36.81 5.27 2.4417 -1 1 2 2 37.07 4.20 2.4251 0 0 3 2 42.49 34.24 2.1276 1 1 2 2 43.27 20.99 2.0912 0 1 3 2 43.67 1.52 2.0728 -2 0 1 2 43.85 16.57 2.0647 0 2 0 1 44.42 5.94 2.0394 2 0 0 2 45.24 16.98 2.0044 -1 1 3 2 45.68 1.31 1.9863 0 2 1 2 46.56 1.22 1.9506 -2 0 2 2 48.69 11.94 1.8702 2 0 1 2 49.18 2.44 1.8525 -2 1 1 2 49.48 8.10 1.8421 1 2 0 2 49.87 1.81 1.8285 2 1 0 2 49.98 2.90 1.8249 -1 2 1 2 50.77 4.73 1.7983 -1 0 4 2 50.85 5.20 1.7956 0 2 2 2 51.84 25.08 1.7637 -2 1 2 2 52.30 6.82 1.7491 1 2 1 2 52.46 6.74 1.7443 1 1 3 2 52.63 1.30 1.7389 -2 0 3 2 53.74 13.63 1.7058 -1 2 2 2 55.18 3.55 1.6645 0 1 4 2 55.75 1.73 1.6488 -1 1 4 2 55.86 2.58 1.6458 2 0 2 2 57.51 3.93 1.6026 -2 1 3 2 58.11 1.16 1.5874 1 2 2 2 58.73 7.16 1.5721 0 2 3 2 59.60 11.78 1.5512 1 0 4 2 60.33 15.45 1.5342 -1 2 3 2 60.56 3.66 1.5289 2 1 2 2 63.50 4.39 1.4650 -1 0 5 2 63.61 11.38 1.4628 -2 2 1 2 64.13 1.14 1.4522 1 1 4 2 64.19 11.19 1.4509 2 2 0 2 65.34 7.11 1.4282 2 0 3 2 65.69 8.66 1.4213 -2 1 4 2 65.87 6.50 1.4179 -2 2 2 2 66.41 3.09 1.4078 1 2 3 2 67.55 1.32 1.3868 -3 0 1 2 67.58 6.39 1.3861 2 2 1 2 68.35 10.10 1.3724 0 1 5 2 68.78 2.23 1.3649 -3 0 2 2 69.29 2.75 1.3561 -1 2 4 2 69.66 2.30 1.3498 2 1 3 2 71.89 3.70 1.3133 -2 0 5 2 72.47 2.29 1.3042 1 3 0 2 72.72 5.31 1.3004 -3 0 3 2 72.87 1.38 1.2980 -1 3 1 2 73.01 1.02 1.2959 -3 1 2 2 73.25 1.98 1.2922 1 0 5 2 73.31 6.92 1.2914 3 1 0 2 73.57 2.29 1.2874 0 3 2 2 73.60 1.97 1.2870 2 2 2 2 74.76 6.06 1.2699 1 3 1 2 75.94 3.47 1.2530 -1 3 2 2 76.86 2.40 1.2403 -3 1 3 2 76.87 4.28 1.2402 1 2 4 2 78.32 3.21 1.2208 -2 2 4 2 78.96 5.27 1.2126 0 0 6 2 79.21 1.66 1.2093 -3 0 4 2 79.64 4.28 1.2038 1 3 2 2 80.18 6.60 1.1971 0 3 3 2 80.37 3.33 1.1948 -1 2 5 2 80.81 4.55 1.1894 0 2 5 2 80.86 4.37 1.1887 2 1 4 2 81.58 4.71 1.1801 -1 3 3 2 81.65 3.65 1.1792 -1 1 6 2 82.04 1.08 1.1746 2 2 3 2 83.25 3.64 1.1606 -3 1 4 2 84.08 3.36 1.1512 -3 2 1 2 84.11 10.54 1.1509 3 1 2 2 84.49 2.89 1.1467 -2 3 1 2 84.53 1.16 1.1463 -2 0 6 2 85.02 1.76 1.1409 2 3 0 2 85.52 1.30 1.1355 3 2 0 2 86.55 1.72 1.1246 -2 3 2 2 87.04 3.91 1.1196 1 3 3 2 88.12 2.58 1.1086 2 3 1 2 88.17 1.01 1.1081 -2 2 5 2 88.55 1.73 1.1043 1 0 6 2 88.95 1.92 1.1003 -3 2 3 2 89.71 1.31 1.0930 -1 3 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.