CS2 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, cristobalite structure _database_code_amcsd 0018757 CELL PARAMETERS: 5.2320 5.2320 6.1260 90.000 90.000 90.000 SPACE GROUP: P4_12_12 X-RAY WAVELENGTH: 1.541838 Cell Volume: 167.692 Density (g/cm3): 3.015 MAX. ABS. INTENSITY / VOLUME**2: 21.25860856 RIR: 2.296 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 22.35 7.45 3.9785 1 0 1 8 24.05 5.66 3.6996 1 1 0 4 28.18 2.66 3.1669 1 1 1 8 33.91 29.21 2.6433 1 0 2 8 34.28 84.42 2.6160 2 0 0 4 37.38 1.95 2.4058 2 0 1 8 38.14 100.00 2.3593 1 1 2 8 38.47 19.64 2.3398 2 1 0 8 41.30 1.10 2.1858 2 1 1 8 48.99 7.93 1.8594 2 1 2 8 49.26 16.89 1.8498 2 2 0 4 55.54 3.03 1.6545 3 1 0 8 60.45 9.64 1.5315 0 0 4 2 61.15 20.80 1.5156 3 0 2 8 63.95 24.20 1.4557 3 1 2 8 64.18 3.95 1.4511 3 2 0 8 71.37 13.34 1.3217 2 0 4 8 72.01 13.91 1.3114 3 2 2 8 73.97 4.50 1.2814 2 1 4 8 74.82 9.05 1.2689 4 1 0 8 77.38 2.67 1.2332 3 3 0 4 81.61 6.12 1.1797 2 2 4 8 82.44 1.49 1.1699 4 2 0 8 84.74 2.06 1.1440 3 3 2 8 86.62 1.39 1.1239 3 1 4 8 89.72 2.58 1.0929 4 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.