Information card for entry 1008048

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: 5.5942 ± 0.0006 Å
• b: 7.1216 ± 0.0008 Å
• c: 12.46 ± 0.001 Å
• α: 95.05 ± 0.01°
• β: 95.19 ± 0.01°
• γ: 108.76 ± 0.01°
• Cell volume: 464.5 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: 0.025
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No