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: 19 _database_code_amcsd 0007884 CELL PARAMETERS: 4.7082 5.5282 5.0064 90.000 107.835 90.000 SPACE GROUP: Pm X-RAY WAVELENGTH: 1.541838 Cell Volume: 124.044 Density (g/cm3): 3.217 MAX. ABS. INTENSITY / VOLUME**2: 13.61309508 RIR: 1.378 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.62 7.38 4.7658 0 0 1 1 19.81 15.56 4.4819 1 0 0 1 22.69 100.00 3.9183 -1 0 1 1 24.66 31.58 3.6096 0 1 1 2 27.91 24.33 3.1968 -1 1 1 2 31.31 25.03 2.8573 1 0 1 1 32.39 34.33 2.7641 0 2 0 2 35.36 9.04 2.5383 1 1 1 2 36.90 3.20 2.4359 -1 0 2 1 37.62 18.21 2.3910 0 2 1 2 37.75 23.91 2.3829 0 0 2 1 38.26 2.21 2.3527 1 2 0 2 38.82 9.81 2.3199 -2 0 1 1 39.91 36.74 2.2587 -1 2 1 2 40.24 24.34 2.2410 2 0 0 1 40.47 6.03 2.2291 -1 1 2 2 41.26 4.68 2.1883 0 1 2 2 42.25 3.89 2.1392 -2 1 1 2 43.58 1.18 2.0768 2 1 0 2 45.67 3.48 1.9866 1 2 1 2 48.45 5.78 1.8790 1 0 2 1 49.35 1.23 1.8466 -2 1 2 2 49.90 4.50 1.8275 -1 2 2 2 50.00 3.53 1.8242 2 0 1 1 50.57 2.52 1.8048 0 2 2 2 51.36 1.18 1.7790 1 1 2 2 51.42 1.42 1.7770 -2 2 1 2 52.57 8.14 1.7407 2 2 0 2 53.30 2.45 1.7187 0 3 1 2 55.07 3.20 1.6675 -1 3 1 2 57.67 8.48 1.5984 -2 2 2 2 57.78 6.98 1.5957 -1 1 3 2 58.06 1.57 1.5886 0 0 3 1 58.84 1.36 1.5694 -3 0 1 1 59.49 2.05 1.5539 1 2 2 2 59.71 1.46 1.5486 1 3 1 2 60.65 2.84 1.5268 0 1 3 2 60.84 1.44 1.5225 2 2 1 2 61.41 3.37 1.5097 -3 1 1 2 62.13 1.92 1.4940 3 0 0 1 62.44 2.38 1.4873 -3 0 2 1 62.75 1.60 1.4808 -2 1 3 2 63.28 1.49 1.4696 -1 3 2 2 63.86 1.29 1.4577 0 3 2 2 64.59 1.16 1.4429 -2 3 1 2 64.93 2.38 1.4362 -3 1 2 2 65.31 3.37 1.4287 2 0 2 1 65.39 5.26 1.4273 -1 2 3 2 67.74 1.91 1.3832 2 1 2 2 67.81 11.40 1.3821 0 4 0 2 68.07 9.68 1.3773 0 2 3 2 68.79 6.03 1.3647 -3 2 1 2 70.05 2.08 1.3433 -2 2 3 2 70.81 3.07 1.3306 1 1 3 2 71.77 3.91 1.3152 3 0 1 1 71.83 5.48 1.3143 3 2 0 2 72.12 3.77 1.3097 -3 2 2 2 72.35 2.16 1.3061 -3 0 3 1 72.53 4.90 1.3034 -1 4 1 2 74.81 4.84 1.2692 2 2 2 2 76.58 3.40 1.2442 1 4 1 2 77.17 2.49 1.2361 -1 3 3 2 77.76 1.11 1.2282 1 2 3 2 78.54 1.31 1.2179 -2 0 4 1 80.31 3.07 1.1955 0 4 2 2 80.37 1.47 1.1948 -3 3 1 2 80.64 1.11 1.1915 0 0 4 1 80.95 4.93 1.1876 3 2 1 2 80.98 1.31 1.1873 -2 4 1 2 81.51 4.37 1.1809 -3 2 3 2 81.89 3.99 1.1763 2 4 0 2 83.53 1.11 1.1573 -3 3 2 2 85.17 2.79 1.1393 -1 2 4 2 85.54 1.14 1.1353 -4 1 2 2 87.53 4.05 1.1145 -2 2 4 2 87.65 1.04 1.1133 1 4 2 2 89.00 1.50 1.0999 1 3 3 2 89.59 1.54 1.0941 0 2 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.