Information card for entry 9012738

Structure parameters

• Mineral name: Hydrate - tetrahydrofuran
• Formula: C0.333 H0.667 O0.083
• Calculated formula: C0.33332 H0.66665 O0.08333
• Title of publication: 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
• Authors of publication: Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.
• Journal of publication: Journal of Physical Chemistry B
• Year of publication: 2003
• Journal volume: 107
• Pages of publication: 6026 - 6031
• a: 17.103 Å
• b: 17.103 Å
• c: 17.103 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5002.84 ų
• Ambient diffraction temperature: 7 K
• Number of distinct elements: 3
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No