Adamantane-methane-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: C10H16(CH4)5(H2O)34, T = 123 K Locality: synthetic _database_code_amcsd 0019152 CELL PARAMETERS: 12.3304 12.3304 9.9206 90.000 90.000 120.000 SPACE GROUP: P6/mmm X-RAY WAVELENGTH: 1.541838 Cell Volume: 1306.240 Density (g/cm3): 1.063 MAX. ABS. INTENSITY / VOLUME**2: 1.827467766 RIR: 0.560 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.28 9.71 10.6784 1 0 0 6 8.91 2.85 9.9206 0 0 1 2 12.18 25.08 7.2681 1 0 1 12 14.37 1.01 6.1652 1 1 0 6 17.88 1.30 4.9603 0 0 2 2 18.87 100.00 4.7016 2 0 1 12 19.73 44.27 4.4986 1 0 2 12 22.02 6.27 4.0361 2 1 0 12 23.01 2.90 3.8647 1 1 2 12 23.80 9.28 3.7385 2 1 1 24 24.50 8.91 3.6340 2 0 2 12 25.02 8.37 3.5595 3 0 0 6 26.61 41.01 3.3504 3 0 1 12 26.96 5.54 3.3069 0 0 3 2 28.25 6.66 3.1589 1 0 3 12 28.51 98.79 3.1307 2 1 2 24 28.97 31.40 3.0826 2 2 0 6 30.18 63.24 2.9617 3 1 0 12 30.36 38.41 2.9438 2 2 1 12 30.68 43.24 2.9141 1 1 3 12 31.53 5.08 2.8379 3 1 1 24 31.83 32.58 2.8113 2 0 3 12 33.57 4.88 2.6696 4 0 0 6 34.80 2.30 2.5779 4 0 1 12 35.08 3.75 2.5579 2 1 3 24 35.30 3.65 2.5429 3 1 2 24 36.68 1.73 2.4498 3 2 0 12 37.11 1.46 2.4227 3 0 3 12 37.22 4.43 2.4158 1 0 4 12 38.29 2.33 2.3508 4 0 2 12 39.73 5.57 2.2685 4 1 1 24 39.98 1.62 2.2548 2 2 3 12 40.09 8.75 2.2493 2 0 4 12 41.09 12.00 2.1965 3 2 2 24 42.32 11.21 2.1357 5 0 0 6 42.79 4.33 2.1131 2 1 4 24 43.34 6.53 2.0879 5 0 1 12 44.06 18.14 2.0551 3 3 0 6 44.52 29.52 2.0349 3 0 4 12 44.92 4.55 2.0180 4 2 0 12 45.05 2.42 2.0123 3 3 1 12 45.73 2.95 1.9841 0 0 5 2 45.89 3.28 1.9775 4 2 1 24 46.11 32.25 1.9685 3 2 3 24 46.28 20.73 1.9616 5 0 2 12 47.03 2.17 1.9324 2 2 4 12 47.40 6.47 1.9179 5 1 0 12 47.75 6.01 1.9048 4 1 3 24 47.91 2.47 1.8986 3 3 2 12 48.18 3.01 1.8887 1 1 5 12 48.71 2.18 1.8693 4 2 2 24 50.21 1.62 1.8170 4 0 4 12 51.31 1.08 1.7806 2 1 5 24 52.50 1.04 1.7429 3 2 4 24 52.83 2.06 1.7331 3 0 5 12 54.45 1.18 1.6851 5 2 1 24 56.51 1.86 1.6284 6 1 0 12 58.31 1.05 1.5824 3 3 4 12 59.01 2.65 1.5653 4 2 4 24 60.51 2.09 1.5300 2 1 6 24 61.50 5.52 1.5078 5 3 1 24 62.74 1.31 1.4808 6 2 0 12 64.06 1.44 1.4536 5 0 5 12 65.38 1.10 1.4274 3 3 5 12 65.82 2.26 1.4190 6 2 2 24 66.06 1.68 1.4144 7 1 0 12 66.41 3.16 1.4078 5 2 4 24 67.63 1.13 1.3852 7 0 3 12 67.63 1.78 1.3852 5 3 3 24 68.46 1.47 1.3705 3 2 6 24 68.99 1.17 1.3612 6 1 4 24 70.41 1.77 1.3372 2 1 7 24 72.78 2.70 1.2994 5 3 4 24 77.05 2.67 1.2378 8 0 3 12 81.51 2.72 1.1809 5 0 7 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.