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: 16 _database_code_amcsd 0007881 CELL PARAMETERS: 6.6395 8.0488 5.4184 90.000 99.997 90.000 SPACE GROUP: Cc X-RAY WAVELENGTH: 1.541838 Cell Volume: 285.163 Density (g/cm3): 2.799 MAX. ABS. INTENSITY / VOLUME**2: 12.71027315 RIR: 1.479 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.47 8.42 5.0751 1 1 0 2 22.09 100.00 4.0244 0 2 0 2 22.49 56.03 3.9530 -1 1 1 2 25.81 30.77 3.4525 1 1 1 2 27.28 64.76 3.2693 2 0 0 1 27.77 18.95 3.2131 0 2 1 2 33.59 32.32 2.6681 0 0 2 1 35.37 18.86 2.5375 2 2 0 2 35.85 12.93 2.5047 -1 1 2 2 36.19 6.02 2.4821 1 3 0 2 37.13 10.74 2.4217 -2 2 1 2 39.00 17.87 2.3095 -1 3 1 2 39.72 3.44 2.2690 -2 0 2 1 40.25 6.73 2.2405 1 1 2 2 40.57 1.38 2.2238 0 2 2 2 41.11 5.19 2.1959 1 3 1 2 42.99 3.28 2.1038 3 1 0 2 43.52 5.19 2.0797 -3 1 1 2 45.05 2.83 2.0122 0 4 0 2 45.91 1.91 1.9765 -2 2 2 2 47.58 11.03 1.9110 2 0 2 1 48.34 4.36 1.8828 0 4 1 2 49.14 4.35 1.8540 3 1 1 2 50.55 8.06 1.8056 -3 1 2 2 51.94 2.42 1.7604 1 3 2 2 52.15 3.55 1.7540 -1 1 3 2 53.05 4.50 1.7262 2 2 2 2 53.47 2.40 1.7136 2 4 0 2 54.22 1.27 1.6917 3 3 0 2 54.66 7.71 1.6791 -3 3 1 2 54.75 4.18 1.6766 -2 4 1 2 56.28 3.44 1.6347 4 0 0 1 56.57 3.14 1.6269 0 2 3 2 57.13 2.85 1.6122 1 1 3 2 59.10 5.84 1.5631 1 5 0 2 59.29 2.51 1.5586 -2 2 3 2 59.51 4.22 1.5534 3 3 1 2 60.75 1.55 1.5246 -3 3 2 2 60.83 4.88 1.5227 -4 2 1 2 61.08 4.49 1.5171 -1 5 1 2 61.20 2.73 1.5145 4 2 0 2 61.60 3.70 1.5055 -2 4 2 2 62.17 3.44 1.4931 -1 3 3 2 62.62 2.48 1.4835 1 5 1 2 66.68 2.09 1.4027 1 3 3 2 66.88 1.53 1.3991 4 2 1 2 68.27 1.99 1.3738 -1 5 2 2 68.36 1.22 1.3722 2 2 3 2 69.71 1.25 1.3489 3 3 2 2 70.53 9.89 1.3352 -1 1 4 2 70.60 1.23 1.3340 0 0 4 1 70.69 2.03 1.3327 0 4 3 2 71.16 2.09 1.3249 1 5 2 2 72.68 2.64 1.3010 0 6 1 2 72.93 4.48 1.2972 4 0 2 1 73.08 1.30 1.2949 3 5 0 2 73.11 1.20 1.2943 -2 4 3 2 73.34 1.53 1.2908 5 1 0 2 73.45 2.69 1.2892 -3 5 1 2 74.50 2.41 1.2736 -4 4 1 2 74.83 1.46 1.2688 4 4 0 2 75.56 1.33 1.2583 3 1 3 2 75.64 2.00 1.2572 -4 2 3 2 76.19 2.44 1.2495 1 1 4 2 76.24 6.84 1.2489 -5 1 2 2 77.28 5.11 1.2346 4 2 2 2 77.65 1.53 1.2296 3 5 1 2 77.87 2.47 1.2268 -2 6 1 2 78.14 3.17 1.2231 -3 1 4 2 79.09 2.73 1.2108 -4 4 2 2 79.25 1.41 1.2088 -1 3 4 2 80.02 2.12 1.1991 -1 5 3 2 80.07 2.44 1.1985 0 6 2 2 80.63 1.64 1.1916 2 6 1 2 80.95 1.89 1.1876 -5 3 1 2 81.46 1.51 1.1815 2 4 3 2 84.12 2.51 1.1508 3 3 3 2 84.13 2.33 1.1507 1 5 3 2 84.77 1.15 1.1436 -5 3 2 2 86.95 2.16 1.1204 3 5 2 2 87.77 1.43 1.1121 5 3 1 2 88.40 1.25 1.1057 -4 4 3 2 88.74 1.39 1.1024 -2 4 4 2 88.75 1.06 1.1023 -3 5 3 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.