Acetylene-hydrate Kirchner M T, Boese R, Billups W E, Norman L R Journal of the American Chemical Society 126 (2004) 9407-9412 Gas hydrate single-crystal structure analyses Sample: (C2H2)7.2(H2O)46, T = 143 K Locality: synthetic _database_code_amcsd 0019156 CELL PARAMETERS: 11.8950 11.8950 11.8950 90.000 90.000 90.000 SPACE GROUP: Pm3n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1683.036 Density (g/cm3): 1.008 MAX. ABS. INTENSITY / VOLUME**2: 3.509796801 RIR: 1.134 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.90 3.03 5.9475 2 0 0 6 16.67 9.82 5.3196 2 1 0 24 18.27 12.03 4.8561 2 1 1 24 23.65 4.61 3.7615 3 1 0 24 25.95 42.13 3.4338 2 2 2 8 27.03 42.03 3.2991 3 2 0 24 28.07 100.00 3.1791 3 2 1 48 30.05 8.96 2.9738 4 0 0 6 31.00 23.97 2.8850 4 1 0 24 31.92 10.59 2.8037 3 3 0 12 34.55 7.01 2.5957 4 2 1 48 35.39 3.98 2.5360 3 3 2 24 37.82 2.12 2.3790 4 3 0 24 38.59 1.56 2.3328 5 1 0 24 40.85 6.32 2.2088 4 3 2 48 44.41 23.74 2.0400 5 3 0 24 44.41 11.45 2.0400 4 3 3 24 45.09 10.59 2.0106 5 3 1 48 45.77 2.80 1.9825 4 4 2 24 45.77 7.46 1.9825 6 0 0 6 46.44 2.61 1.9555 6 1 0 24 47.10 17.95 1.9296 5 3 2 48 47.10 2.15 1.9296 6 1 1 24 48.40 3.98 1.8808 6 2 0 24 49.04 2.53 1.8577 5 4 0 24 49.04 1.02 1.8577 6 2 1 48 60.82 1.26 1.5230 6 5 0 24 63.54 1.99 1.4642 8 1 1 24 65.14 1.58 1.4320 7 4 2 48 65.67 2.01 1.4217 6 5 3 48 66.72 1.52 1.4018 8 2 2 24 73.89 1.02 1.2827 6 5 5 24 75.88 1.21 1.2538 8 5 1 48 79.82 1.11 1.2016 8 5 3 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.