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: 2 _database_code_amcsd 0007867 CELL PARAMETERS: 4.7481 4.7481 7.4880 90.000 90.000 90.000 SPACE GROUP: I-42d X-RAY WAVELENGTH: 1.541838 Cell Volume: 168.813 Density (g/cm3): 2.364 MAX. ABS. INTENSITY / VOLUME**2: 38.05884739 RIR: 5.243 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.17 100.00 4.0099 1 0 1 8 35.93 31.76 2.4996 1 1 2 4 37.90 1.67 2.3740 2 0 0 4 40.84 1.31 2.2093 1 0 3 8 44.34 7.92 2.0429 2 1 1 8 45.23 2.76 2.0050 2 0 2 8 54.68 2.52 1.6787 2 2 0 4 56.94 11.95 1.6173 2 1 3 8 61.79 1.41 1.5015 3 1 0 8 63.26 6.68 1.4700 2 0 4 8 67.17 5.42 1.3936 3 1 2 8 70.45 2.26 1.3366 3 0 3 8 72.94 4.67 1.2970 3 2 1 8 76.17 1.90 1.2498 2 2 4 4 78.09 3.77 1.2238 2 1 5 8 82.45 1.86 1.1698 1 1 6 4 85.27 2.51 1.1382 4 1 1 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.