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 = 265 K, host lattice _database_code_amcsd 0013159 CELL PARAMETERS: 17.2620 17.2620 17.2620 90.000 90.000 90.000 SPACE GROUP: Fd3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 5143.672 Density (g/cm3): 0.791 MAX. ABS. INTENSITY / VOLUME**2: 2.176189765 RIR: 0.896 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.87 21.46 9.9662 1 1 1 8 14.51 66.13 6.1030 2 2 0 12 17.04 100.00 5.2047 3 1 1 24 17.80 56.73 4.9831 2 2 2 8 20.58 30.34 4.3155 4 0 0 6 22.45 12.31 3.9602 3 3 1 24 25.28 17.49 3.5236 4 2 2 24 26.84 47.64 3.3221 5 1 1 24 26.84 14.96 3.3221 3 3 3 8 29.27 37.35 3.0515 4 4 0 12 30.64 77.69 2.9178 5 3 1 48 31.09 5.54 2.8770 4 4 2 24 32.81 16.23 2.7294 6 2 0 24 34.06 14.99 2.6324 5 3 3 24 34.46 2.72 2.6023 6 2 2 24 37.20 3.18 2.4172 5 5 1 24 40.12 7.30 2.2473 7 3 1 48 40.12 3.83 2.2473 5 5 3 24 42.88 29.70 2.1089 7 3 3 24 44.54 40.66 2.0343 8 2 2 24 44.54 19.09 2.0343 6 6 0 12 45.51 8.24 1.9932 7 5 1 48 45.51 15.28 1.9932 5 5 5 8 47.09 2.49 1.9300 8 4 0 24 48.02 1.76 1.8948 9 1 1 24 48.02 5.72 1.8948 7 5 3 48 48.32 4.04 1.8834 8 4 2 48 55.03 1.25 1.6688 9 5 1 48 57.23 3.32 1.6097 9 5 3 48 58.58 2.36 1.5758 10 4 2 48 61.74 1.27 1.5025 8 8 2 24 62.77 2.30 1.4802 10 6 0 24 65.57 3.02 1.4237 11 5 1 48 66.82 5.15 1.4001 10 6 4 48 66.82 3.08 1.4001 12 2 2 24 67.56 1.65 1.3865 9 7 5 48 67.56 1.26 1.3865 11 5 3 48 75.28 2.30 1.2623 13 3 3 24 76.46 1.19 1.2458 8 8 8 8 78.33 3.33 1.2206 10 10 0 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.