Information card for entry 2230975

Structure parameters

• Chemical name: dilithium dititanium(III/IV) tris(orthophosphate)
• Formula: Li2 O12 P3 Ti2
• Calculated formula: Li2 O12 P3 Ti2
• Title of publication: The mixed-valent titanium phosphate, Li~2~Ti~2~(PO~4~)~3~, dilithium dititanium(III/IV) tris(orthophosphate)
• Authors of publication: Kee, Yongho; Lee, Seoung-Soo; Yun, Hoseop
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: i49 - i49
• a: 12.0344 ± 0.0005 Å
• b: 8.5795 ± 0.0005 Å
• c: 8.6794 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 896.14 ± 0.08 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes