Information card for entry 5000223

Structure parameters

• Chemical name: Titanium oxide
• Mineral name: Anatase
• Formula: O2 Ti
• Calculated formula: O2 Ti
• Title of publication: Refinement of the structure of anatase at several temperatures Sample: T = 300 C
• Authors of publication: Horn, M; Schwerdtfeger, C F; Meagher, E P
• Journal of publication: Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
• Year of publication: 1972
• Journal volume: 136
• Pages of publication: 273 - 281
• a: 3.7892 ± 0.0004 Å
• b: 3.7892 ± 0.0004 Å
• c: 9.537 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 136.9 ų
• Ambient diffraction temperature: 573.15 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
• Residual factor for all reflections: 0.023
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No