Information card for entry 1001621

Structure parameters

• Chemical name: Potassium titanium diphosphate (0.58/1/1)
• Formula: K0.58 O7 P2 Ti
• Calculated formula: K0.54 O7 P2 Ti
• Title of publication: A mixed valent titanium diphosphate with an intersecting tunnel structure K~0.~/5~8~TiP~2~O~7~
• Authors of publication: Leclaire, A; Chardon; Borel, M M; Raveau, B
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1994
• Journal volume: 109
• Pages of publication: 83 - 87
• a: 17.85199 ± 0.002 Å
• b: 6.298 ± 0.001 Å
• c: 12.181 ± 0.002 Å
• α: 90°
• β: 119.73 ± 0.01°
• γ: 90°
• Cell volume: 1189.3 ų
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0522
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No