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: 9 _database_code_amcsd 0007874 CELL PARAMETERS: 11.1032 7.8989 4.9771 90.000 112.265 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 403.960 Density (g/cm3): 1.976 MAX. ABS. INTENSITY / VOLUME**2: 24.68724909 RIR: 4.069 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.14 100.00 6.2624 1 1 0 4 17.26 12.04 5.1377 2 0 0 2 21.14 47.19 4.2025 -1 1 1 4 26.54 1.82 3.3587 1 1 1 4 28.27 4.62 3.1564 -3 1 1 4 28.40 27.62 3.1424 3 1 0 4 29.80 24.54 2.9982 0 2 1 4 34.93 2.01 2.5688 4 0 0 2 35.19 1.93 2.5506 1 3 0 4 36.20 8.55 2.4816 -2 0 2 2 38.40 1.78 2.3439 -1 1 2 4 39.67 1.58 2.2719 -3 1 2 4 40.20 1.95 2.2431 -4 2 1 4 41.95 4.62 2.1534 4 2 0 4 42.08 3.90 2.1474 1 3 1 4 43.26 1.33 2.0916 -3 3 1 4 48.26 1.66 1.8857 -5 1 2 4 50.79 1.38 1.7977 -2 4 1 4 50.86 2.81 1.7954 -1 3 2 4 52.11 5.45 1.7550 3 3 1 4 52.30 1.29 1.7492 4 2 1 4 53.51 2.12 1.7126 6 0 0 2 56.86 1.43 1.6193 -3 1 3 4 58.48 1.23 1.5782 -6 2 2 4 59.00 2.06 1.5656 4 4 0 4 60.74 3.88 1.5247 -2 2 3 4 61.27 1.26 1.5130 -5 1 3 4 61.90 1.18 1.4991 0 4 2 4 64.58 1.91 1.4432 7 1 0 4 65.01 2.21 1.4345 3 5 0 4 68.28 1.43 1.3737 -1 3 3 4 69.52 1.59 1.3522 2 4 2 4 69.62 1.69 1.3505 6 2 1 4 70.83 1.48 1.3303 -5 3 3 4 75.17 1.65 1.2639 1 3 3 4 76.11 1.01 1.2506 7 1 1 4 77.97 1.01 1.2255 -5 5 2 4 81.04 1.29 1.1866 -8 2 3 4 81.13 1.09 1.1854 -4 6 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.