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: 12 _database_code_amcsd 0007877 CELL PARAMETERS: 6.8513 7.3761 6.7085 90.000 101.918 90.000 SPACE GROUP: C2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 331.712 Density (g/cm3): 2.406 MAX. ABS. INTENSITY / VOLUME**2: 14.60374992 RIR: 1.976 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.49 100.00 6.5639 0 0 1 2 17.88 74.65 4.9609 1 1 0 2 20.73 1.64 4.2853 -1 1 1 2 24.08 37.49 3.6954 1 1 1 2 24.13 39.40 3.6881 0 2 0 1 27.17 5.73 3.2819 0 0 2 2 27.26 31.82 3.2713 -2 0 1 2 27.75 18.57 3.2153 0 2 1 2 30.27 13.34 2.9527 -1 1 2 2 34.06 10.11 2.6325 -2 0 2 2 35.01 23.30 2.5629 1 1 2 2 36.21 7.67 2.4805 2 2 0 2 36.65 13.53 2.4517 0 2 2 2 36.72 8.33 2.4473 -2 2 1 2 39.02 2.05 2.3083 1 3 0 2 40.49 1.74 2.2277 -1 3 1 2 40.81 3.15 2.2112 2 2 1 2 41.76 7.69 2.1632 -3 1 1 2 42.18 5.46 2.1426 -2 2 2 2 42.26 5.04 2.1386 3 1 0 2 42.34 1.66 2.1349 2 0 2 2 42.42 7.40 2.1307 1 3 1 2 45.84 2.14 1.9796 -3 1 2 2 47.23 1.46 1.9244 3 1 1 2 47.94 1.78 1.8977 1 1 3 2 49.32 2.11 1.8477 2 2 2 2 49.89 2.43 1.8279 1 3 2 2 51.28 4.22 1.7815 -2 2 3 2 51.47 2.54 1.7753 0 4 1 2 53.69 1.62 1.7073 -3 1 3 2 54.62 1.36 1.6802 2 0 3 2 55.58 1.20 1.6536 3 3 0 2 56.04 1.03 1.6410 0 0 4 2 56.29 2.93 1.6342 -1 1 4 2 57.00 4.17 1.6157 2 4 0 2 57.31 4.92 1.6076 0 4 2 2 57.36 1.98 1.6064 -2 4 1 2 60.32 4.18 1.5344 1 3 3 2 60.56 1.92 1.5290 2 2 3 2 60.70 5.70 1.5258 4 2 0 2 61.39 1.29 1.5103 -2 4 2 2 61.89 3.92 1.4993 0 2 4 2 62.08 2.95 1.4952 -4 2 2 2 62.46 3.08 1.4869 -4 0 3 2 64.70 2.68 1.4407 1 5 0 2 65.34 1.22 1.4281 4 2 1 2 67.17 3.83 1.3937 3 3 2 2 67.98 1.10 1.3791 -4 2 3 2 68.68 1.46 1.3666 2 0 4 2 68.70 2.01 1.3663 -2 4 3 2 69.81 1.73 1.3472 -5 1 1 2 70.16 2.61 1.3413 -1 5 2 2 71.45 1.67 1.3203 -5 1 2 2 71.71 2.67 1.3162 -4 0 4 2 73.09 3.41 1.2947 1 3 4 2 73.15 1.19 1.2937 4 2 2 2 73.97 2.66 1.2814 2 2 4 2 76.87 1.45 1.2402 4 4 0 2 76.91 2.74 1.2396 -4 2 4 2 77.12 1.15 1.2368 0 2 5 2 77.19 1.37 1.2358 -3 5 1 2 77.42 2.25 1.2327 -3 1 5 2 77.67 1.59 1.2293 0 6 0 1 77.93 2.63 1.2259 0 4 4 2 78.10 1.34 1.2237 1 1 5 2 78.10 2.48 1.2236 -4 4 2 2 81.83 3.08 1.1771 5 3 0 2 84.08 1.07 1.1512 0 6 2 2 84.55 1.42 1.1460 5 1 2 2 87.59 1.50 1.1139 -2 6 2 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.