Information card for entry 1516310

Structure parameters

• Formula: C7 H14 F N O20 Si10
• Calculated formula: C7 F N O20 Si10
• Title of publication: Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure
• Authors of publication: Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 14
• Pages of publication: 6726
• a: 9.1666 ± 0.0004 Å
• b: 9.1666 ± 0.0004 Å
• c: 13.3662 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1123.12 ± 0.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No