Hydrate - tetrahydrofuran Jones C Y, Marshall S L, Chakoumakos B C, Rawn C J, Ishii Y Journal of Physical Chemistry B107 (2003) 6026-6031 Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 75 K, host lattice _database_code_amcsd 0013156 CELL PARAMETERS: 17.1090 17.1090 17.1090 90.000 90.000 90.000 SPACE GROUP: Fd3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 5008.109 Density (g/cm3): 0.812 MAX. ABS. INTENSITY / VOLUME**2: 2.450734268 RIR: 0.982 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.95 24.21 9.8779 1 1 1 8 14.64 55.71 6.0489 2 2 0 12 17.19 100.00 5.1586 3 1 1 24 17.96 54.48 4.9389 2 2 2 8 20.77 25.11 4.2772 4 0 0 6 22.65 13.62 3.9251 3 3 1 24 25.51 20.62 3.4924 4 2 2 24 27.08 51.13 3.2926 5 1 1 24 27.08 15.41 3.2926 3 3 3 8 29.53 27.16 3.0245 4 4 0 12 30.92 82.59 2.8919 5 3 1 48 31.37 6.75 2.8515 4 4 2 24 33.12 17.22 2.7052 6 2 0 24 34.37 13.74 2.6091 5 3 3 24 34.78 1.21 2.5793 6 2 2 24 37.54 3.81 2.3957 5 5 1 24 40.50 8.52 2.2274 7 3 1 48 40.50 5.21 2.2274 5 5 3 24 42.26 1.60 2.1386 8 0 0 6 43.29 30.05 2.0902 7 3 3 24 44.96 45.02 2.0163 8 2 2 24 44.96 27.50 2.0163 6 6 0 12 45.94 8.15 1.9756 7 5 1 48 45.94 16.29 1.9756 5 5 5 8 47.53 2.48 1.9128 8 4 0 24 48.47 2.23 1.8780 9 1 1 24 48.47 6.96 1.8780 7 5 3 48 48.78 6.12 1.8667 8 4 2 48 57.79 3.39 1.5954 9 5 3 48 59.15 2.70 1.5618 10 4 2 48 62.36 1.78 1.4891 8 8 2 24 63.40 3.58 1.4671 10 6 0 24 64.18 2.03 1.4512 9 7 3 48 65.46 1.57 1.4257 8 8 4 24 66.23 5.62 1.4111 11 5 1 48 67.49 3.26 1.3877 12 2 2 24 67.49 6.89 1.3877 10 6 4 48 68.25 2.62 1.3742 9 7 5 48 68.25 1.76 1.3742 11 5 3 48 76.07 4.16 1.2511 13 3 3 24 77.27 2.38 1.2347 8 8 8 8 79.17 4.89 1.2098 10 10 0 12 79.88 1.41 1.2008 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.