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 = 7 K, host lattice Note: y(D7) corrected _database_code_amcsd 0013155 CELL PARAMETERS: 17.1030 17.1030 17.1030 90.000 90.000 90.000 SPACE GROUP: Fd3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 5002.844 Density (g/cm3): 0.813 MAX. ABS. INTENSITY / VOLUME**2: 2.444481163 RIR: 0.979 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.96 22.37 9.8744 1 1 1 8 14.65 56.77 6.0468 2 2 0 12 17.20 100.00 5.1567 3 1 1 24 17.97 55.45 4.9372 2 2 2 8 20.77 23.47 4.2758 4 0 0 6 22.66 13.34 3.9237 3 3 1 24 25.51 21.26 3.4911 4 2 2 24 27.09 50.02 3.2915 5 1 1 24 27.09 16.10 3.2915 3 3 3 8 29.55 27.65 3.0234 4 4 0 12 30.93 82.15 2.8909 5 3 1 48 31.38 6.11 2.8505 4 4 2 24 33.13 16.07 2.7042 6 2 0 24 34.38 14.04 2.6082 5 3 3 24 34.79 1.52 2.5784 6 2 2 24 37.56 3.59 2.3949 5 5 1 24 40.51 8.72 2.2266 7 3 1 48 40.51 4.88 2.2266 5 5 3 24 42.27 1.43 2.1379 8 0 0 6 43.30 29.64 2.0895 7 3 3 24 44.97 44.04 2.0156 8 2 2 24 44.97 26.75 2.0156 6 6 0 12 45.95 7.49 1.9749 7 5 1 48 45.95 15.95 1.9749 5 5 5 8 47.55 2.65 1.9122 8 4 0 24 48.49 6.32 1.8773 7 5 3 48 48.49 2.36 1.8773 9 1 1 24 48.80 5.72 1.8661 8 4 2 48 57.81 3.59 1.5949 9 5 3 48 59.18 2.68 1.5613 10 4 2 48 62.38 1.73 1.4886 8 8 2 24 63.43 3.43 1.4666 10 6 0 24 64.20 1.91 1.4507 9 7 3 48 65.49 1.53 1.4253 8 8 4 24 66.26 5.35 1.4106 11 5 1 48 67.52 6.75 1.3872 10 6 4 48 67.52 3.01 1.3872 12 2 2 24 68.27 2.48 1.3737 9 7 5 48 68.27 1.73 1.3737 11 5 3 48 76.11 3.99 1.2507 13 3 3 24 77.30 2.28 1.2343 8 8 8 8 79.21 4.73 1.2094 10 10 0 12 79.92 1.26 1.2004 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.