Information card for entry 2206440

Structure parameters

• Chemical name: ammonium oxonium dititanium(III,IV) tris(phosphate)
• Formula: H7 N O13 P3 Ti2
• Calculated formula: H7 N O13 P3 Ti2
• Title of publication: Langbeinite-type mixed-valence (NH~4~)(H~3~O)Ti^III^Ti^IV^(PO~4~)~3~
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: i158 - i159
• a: 9.9384 ± 0.0004 Å
• b: 9.9384 ± 0.0004 Å
• c: 9.9384 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 981.63 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes