Hydrate - propane Rawn C J, Rondinone A J, Chakoumakos B C, Circone S, Stern L A, Kirby S H, Ishii Y Canadian Journal of Physics 81 (2003) 431-438 Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane Sample: T = 12 K, C3H8*17D20 _database_code_amcsd 0012175 CELL PARAMETERS: 17.0920 17.0920 17.0920 90.000 90.000 90.000 SPACE GROUP: Fd3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 4993.196 Density (g/cm3): 0.933 MAX. ABS. INTENSITY / VOLUME**2: 1.875643403 RIR: 0.655 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.21 21.22 5.1534 3 1 1 24 17.98 100.00 4.9340 2 2 2 8 20.79 45.78 4.2730 4 0 0 6 22.68 52.72 3.9212 3 3 1 24 25.53 52.35 3.4889 4 2 2 24 27.11 68.02 3.2894 5 1 1 24 27.11 17.15 3.2894 3 3 3 8 29.56 46.00 3.0215 4 4 0 12 30.95 83.58 2.8891 5 3 1 48 31.40 5.50 2.8487 4 4 2 24 33.15 14.43 2.7025 6 2 0 24 34.41 20.18 2.6065 5 3 3 24 37.58 1.06 2.3934 7 1 1 24 37.58 5.78 2.3934 5 5 1 24 40.54 8.39 2.2252 7 3 1 48 40.54 3.64 2.2252 5 5 3 24 42.30 2.28 2.1365 8 0 0 6 43.33 40.89 2.0881 7 3 3 24 45.00 56.25 2.0143 8 2 2 24 45.00 39.78 2.0143 6 6 0 12 45.99 8.87 1.9736 7 5 1 48 45.99 23.04 1.9736 5 5 5 8 46.31 2.16 1.9606 6 6 2 24 47.58 4.11 1.9109 8 4 0 24 48.53 4.83 1.8761 9 1 1 24 48.53 9.14 1.8761 7 5 3 48 48.84 10.69 1.8649 8 4 2 48 53.33 1.03 1.7178 7 7 1 24 55.62 1.30 1.6523 9 5 1 48 57.85 2.77 1.5938 9 5 3 48 59.22 3.08 1.5603 10 4 2 48 62.16 1.14 1.4933 11 3 1 48 62.42 2.36 1.4877 8 8 2 24 63.47 4.26 1.4656 10 6 0 24 64.25 3.22 1.4497 9 7 3 48 64.25 1.47 1.4497 11 3 3 24 65.54 2.38 1.4243 8 8 4 24 66.30 7.57 1.4097 11 5 1 48 66.30 1.50 1.4097 7 7 7 8 67.57 3.47 1.3863 12 2 2 24 67.57 9.49 1.3863 10 6 4 48 68.32 3.00 1.3729 9 7 5 48 68.32 2.27 1.3729 11 5 3 48 72.29 1.03 1.3071 13 1 1 24 76.16 5.33 1.2499 13 3 3 24 77.36 3.10 1.2335 8 8 8 8 79.27 6.72 1.2086 10 10 0 12 79.98 1.66 1.1996 13 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.