Information card for entry 2012133

Structure parameters

• Common name: beryllophosphate gismondine
• Formula: C H5 Be N O4 P
• Calculated formula: C H5 Be N O4 P
• Title of publication: [H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 891 - 892
• a: 9.6165 ± 0.0007 Å
• b: 9.0032 ± 0.0007 Å
• c: 9.6231 ± 0.0007 Å
• α: 90°
• β: 90.951 ± 0.002°
• γ: 90°
• Cell volume: 833.05 ± 0.11 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes