Information card for entry 2101599

Structure parameters

• Formula: C D3 F
• Calculated formula: C D3 F
• Title of publication: The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction
• Authors of publication: Ibberson, R. M.; Prager, M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 892 - 895
• a: 6.4373 ± 0.0001 Å
• b: 7.5023 ± 0.0001 Å
• c: 3.9598 ± 0.0002 Å
• α: 90°
• β: 101.842 ± 0.001°
• γ: 90°
• Cell volume: 187.167 ± 0.01 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No