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: cell T = 7 K, positions T = 5 K, guest molecule Note: occupancies of C11 and H14 switched to reproduce reported formula _database_code_amcsd 0013160 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): 0.191 MAX. ABS. INTENSITY / VOLUME**2: 3.829662479 RIR: 6.514 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.96 100.00 9.8744 1 1 1 8 14.65 64.43 6.0468 2 2 0 12 17.20 33.78 5.1567 3 1 1 24 20.77 6.91 4.2758 4 0 0 6 22.66 7.89 3.9237 3 3 1 24 25.51 7.05 3.4911 4 2 2 24 27.09 2.52 3.2915 5 1 1 24 29.55 1.04 3.0234 4 4 0 12 30.93 1.37 2.8909 5 3 1 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.