Methane hydrate Gutt C, Asmussen B, Press W, Johnson M R, Handa Y P, Tse J S Journal of Chemical Physics 113 (2000) 4713-4721 The structure of deuterated methane-hydrate Note: T = 2 K Locality: synthetic _database_code_amcsd 0019136 CELL PARAMETERS: 11.8210 11.8210 11.8210 90.000 90.000 90.000 SPACE GROUP: Pm3n X-RAY WAVELENGTH: 1.541838 Cell Volume: 1651.820 Density (g/cm3): 0.930 MAX. ABS. INTENSITY / VOLUME**2: 3.681106844 RIR: 1.289 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.58 5.41 8.3587 1 1 0 12 14.99 6.20 5.9105 2 0 0 6 16.77 36.95 5.2865 2 1 0 24 18.38 24.25 4.8259 2 1 1 24 23.80 1.83 3.7381 3 1 0 24 26.11 36.93 3.4124 2 2 2 8 27.20 32.93 3.2786 3 2 0 24 28.25 100.00 3.1593 3 2 1 48 30.24 7.46 2.9553 4 0 0 6 31.20 24.77 2.8670 4 1 0 24 32.13 13.27 2.7862 3 3 0 12 34.78 8.88 2.5796 4 2 1 48 35.62 4.06 2.5202 3 3 2 24 38.06 3.07 2.3642 4 3 0 24 38.85 1.55 2.3183 5 1 0 24 41.12 1.73 2.1951 5 2 0 24 41.12 7.57 2.1951 4 3 2 48 44.70 29.13 2.0273 5 3 0 24 44.70 12.39 2.0273 4 3 3 24 45.39 13.75 1.9981 5 3 1 48 46.07 4.20 1.9702 4 4 2 24 46.07 9.98 1.9702 6 0 0 6 46.74 3.29 1.9434 6 1 0 24 47.41 24.20 1.9176 5 3 2 48 47.41 3.31 1.9176 6 1 1 24 48.72 3.95 1.8691 6 2 0 24 49.36 2.48 1.8461 5 4 0 24 49.36 1.10 1.8461 6 2 1 48 53.72 1.15 1.7062 4 4 4 8 57.27 1.13 1.6086 5 5 2 24 61.24 1.58 1.5135 6 5 0 24 61.80 2.42 1.5013 6 5 1 48 63.44 1.03 1.4662 6 5 2 48 63.99 1.53 1.4551 5 5 4 24 63.99 3.12 1.4551 8 1 1 24 65.60 1.23 1.4231 7 4 2 48 66.14 2.54 1.4129 6 5 3 48 67.20 2.85 1.3931 8 2 2 24 67.73 1.62 1.3835 8 3 0 24 68.25 1.11 1.3742 7 4 3 48 68.25 1.50 1.3742 7 5 0 24 68.25 1.49 1.3742 8 3 1 48 69.30 1.91 1.3560 6 6 2 24 71.37 1.26 1.3216 8 4 0 24 74.43 2.53 1.2747 6 5 5 24 75.94 1.33 1.2530 8 5 0 24 76.44 2.26 1.2460 8 5 1 48 76.44 1.45 1.2460 9 3 0 24 79.43 2.03 1.2065 8 4 4 24 80.42 2.30 1.1941 8 5 3 48 81.41 1.29 1.1821 10 0 0 6 84.36 1.14 1.1482 9 5 0 24 88.75 1.07 1.1023 9 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.