Information card for entry 1008050

Structure parameters

• Chemical name: Heptaoxotetratitanate
• Formula: O7 Ti4
• Calculated formula: O7 Ti4
• SMILES: [Ti+3].[Ti+3].[Ti+4].[Ti+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• Title of publication: Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~
• Authors of publication: Hodeau, J L; Marezio, M
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1979
• Journal volume: 29
• Pages of publication: 47 - 62
• a: 5.6235 ± 0.0003 Å
• b: 7.1984 ± 0.0004 Å
• c: 12.4018 ± 0.0005 Å
• α: 95.056 ± 0.002°
• β: 95.55 ± 0.005°
• γ: 109.676 ± 0.005°
• Cell volume: 466.6 ų
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: A -1
• Hall space group symbol: -P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)
• Residual factor for all reflections: 0.022
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No