Information card for entry 1008198

Structure parameters

• Chemical name: TITANIUM OXIDE (9/17)
• Formula: O17 Ti9
• Calculated formula: O17 Ti9
• SMILES: [Ti+3].[Ti+3].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
• Title of publication: Structural chemistry of the Magneli phases Ti~n~ O~(2n-1)~, 4<=n<=9
• Authors of publication: le Page, Y; Strobel, P
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1982
• Journal volume: 44
• Pages of publication: 273 - 281
• a: 5.524 ± 0.001 Å
• b: 7.142 ± 0.001 Å
• c: 50.03 ± 0.01 Å
• α: 66.41 ± 0.01°
• β: 57.2 ± 0.01°
• γ: 108.53 ± 0.01°
• Cell volume: 1094.7 ų
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: I -1
• Hall space group symbol: -P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
• Residual factor for all reflections: 0.025
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No