CO2 Gibbs G V, Boisen M B, Downs R T, Lasaga A C Materials Research Society Symposia Proceedings 121 (1988) 155-165 Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S Locality: theoretical, quartz structure _database_code_amcsd 0018751 CELL PARAMETERS: 4.0110 4.0110 4.2140 90.000 90.000 120.000 SPACE GROUP: P3_221 X-RAY WAVELENGTH: 1.541838 Cell Volume: 58.712 Density (g/cm3): 3.734 MAX. ABS. INTENSITY / VOLUME**2: 13.52384136 RIR: 1.179 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 25.65 34.66 3.4736 1 0 0 6 33.43 93.18 2.6804 0 1 1 6 33.43 6.82 2.6804 1 0 1 6 45.21 47.58 2.0055 1 1 0 3 50.39 17.47 1.8109 1 1 1 6 50.67 36.77 1.8015 0 1 2 6 50.67 3.88 1.8015 1 0 2 6 52.70 3.55 1.7368 2 0 0 6 57.38 7.60 1.6058 2 0 1 6 64.10 2.89 1.4527 1 1 2 6 70.23 2.53 1.3402 0 2 2 6 70.23 8.25 1.3402 2 0 2 6 71.91 1.08 1.3129 2 1 0 6 72.60 2.40 1.3022 0 1 3 6 75.91 7.52 1.2535 1 2 1 6 75.91 1.73 1.2535 2 1 1 6 87.34 8.25 1.1165 0 3 1 6 87.55 5.95 1.1143 1 2 2 6 89.80 3.25 1.0922 2 0 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.