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: 11 _database_code_amcsd 0007876 CELL PARAMETERS: 6.9979 8.2122 6.5106 90.000 114.930 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 339.289 Density (g/cm3): 2.352 MAX. ABS. INTENSITY / VOLUME**2: 12.75627671 RIR: 1.766 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.01 16.62 5.9040 0 0 1 2 17.66 74.91 5.0214 1 1 0 2 19.00 100.00 4.6702 -1 1 1 2 21.64 35.33 4.1061 0 2 0 1 25.67 20.44 3.4707 -2 0 1 2 26.44 16.68 3.3710 0 2 1 2 26.87 57.83 3.3177 1 1 1 2 28.12 3.03 3.1729 2 0 0 2 29.55 22.46 3.0232 -1 1 2 2 30.28 6.29 2.9520 0 0 2 2 33.82 6.41 2.6507 -2 2 1 2 35.72 4.52 2.5135 1 3 0 2 35.76 5.80 2.5107 2 2 0 2 36.44 5.64 2.4658 -1 3 1 2 37.41 4.13 2.4041 2 0 1 2 37.52 2.15 2.3969 0 2 2 2 38.55 19.39 2.3351 -2 2 2 2 40.28 1.06 2.2388 -3 1 1 2 41.32 15.62 2.1849 1 3 1 2 42.20 9.66 2.1414 -3 1 2 2 42.65 2.75 2.1199 -2 0 3 2 43.20 2.10 2.0941 -1 3 2 2 43.43 2.44 2.0835 -1 1 3 2 43.63 6.84 2.0746 2 2 1 2 44.11 3.93 2.0531 0 4 0 1 44.22 3.35 2.0484 3 1 0 2 46.12 1.01 1.9680 0 0 3 2 46.85 1.02 1.9391 0 4 1 2 48.32 4.72 1.8837 -2 2 3 2 49.42 2.78 1.8443 -3 1 3 2 50.32 5.16 1.8134 2 0 2 2 51.49 3.75 1.7747 0 2 3 2 51.54 1.91 1.7732 1 3 2 2 51.55 2.85 1.7730 -3 3 1 2 52.96 2.37 1.7290 3 1 1 2 53.09 1.48 1.7252 -4 0 1 2 53.13 1.32 1.7237 2 4 0 2 53.14 1.64 1.7234 -3 3 2 2 54.18 1.90 1.6928 -1 3 3 2 54.44 1.99 1.6855 0 4 2 2 54.85 1.82 1.6738 3 3 0 2 55.21 5.71 1.6636 -2 4 2 2 55.55 1.10 1.6544 1 1 3 2 57.99 3.15 1.5905 -4 2 1 2 58.50 2.17 1.5778 -1 5 1 2 59.18 3.86 1.5612 2 4 1 2 59.37 1.01 1.5567 -3 3 3 2 61.88 1.28 1.4994 -4 2 3 2 62.03 1.18 1.4962 1 5 1 2 62.79 1.32 1.4798 4 2 0 2 64.87 1.28 1.4374 1 3 3 2 65.18 3.24 1.4314 3 1 2 2 65.73 3.96 1.4207 0 4 3 2 65.79 6.46 1.4194 -4 0 4 2 67.25 1.57 1.3921 4 0 1 2 67.43 1.47 1.3890 0 2 4 2 68.08 1.50 1.3771 -1 3 4 2 70.13 2.35 1.3420 1 5 2 2 70.13 6.31 1.3419 -3 5 1 2 70.15 1.50 1.3415 -4 2 4 2 70.20 1.42 1.3407 -5 1 3 2 71.42 4.23 1.3208 -4 4 1 2 71.47 1.52 1.3200 -3 5 2 2 72.35 6.62 1.3061 -1 5 3 2 72.53 4.06 1.3033 1 1 4 2 73.81 1.39 1.2838 3 3 2 2 74.61 1.92 1.2720 -3 1 5 2 75.77 1.35 1.2553 4 4 0 2 75.85 4.23 1.2543 5 1 0 2 76.48 1.12 1.2455 -5 1 4 2 76.76 1.62 1.2417 0 6 2 2 77.41 1.39 1.2329 -2 6 2 2 78.60 1.90 1.2172 -5 3 3 2 80.07 2.10 1.1984 0 4 4 2 80.26 1.35 1.1961 3 1 3 2 80.80 2.84 1.1894 2 6 1 2 82.85 1.63 1.1651 -3 3 5 2 86.53 1.15 1.1249 -5 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.