Information card for entry 9004142

Structure parameters

• Mineral name: Rutile
• Formula: O2 Ti
• Calculated formula: O2 Ti
• SMILES: [Ti+4].[O-2].[O-2]
• Title of publication: Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 300 degrees C
• Authors of publication: Meagher, E. P.; Lager, G. A.
• Journal of publication: The Canadian Mineralogist
• Year of publication: 1979
• Journal volume: 17
• Pages of publication: 77 - 85
• a: 4.603 Å
• b: 4.603 Å
• c: 2.966 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 62.842 ų
• Number of distinct elements: 2
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No