Information card for entry 9008216

Structure parameters

• Mineral name: Anatase
• Formula: O2 Ti
• Calculated formula: O2 Ti
• SMILES: [Ti+4].[O-2].[O-2]
• Title of publication: Refinement of the structure of anatase at several temperatures Sample: T = 800 C
• Authors of publication: Horn, M.; Schwerdtfeger, C. F.; Meagher, E. P.
• Journal of publication: Zeitschrift fur Kristallographie
• Year of publication: 1972
• Journal volume: 136
• Pages of publication: 273 - 281
• a: 3.804 Å
• b: 3.804 Å
• c: 9.614 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 139.119 ų
• Ambient diffraction temperature: 1073.15 K
• Number of distinct elements: 2
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :1
• Hall space group symbol: I 4bw 2bw -1bw
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No