Information card for entry 2242611

Structure parameters

• Common name: titanium bismuth suboxide
• Chemical name: Titanium bismuth oxide (8/9/0.25)
• Formula: Bi9 O0.25 Ti8
• Calculated formula: Bi9 O0.25 Ti8
• Title of publication: Crystal structure of Ti~8~Bi~9~O~0.25~ containing interstitial oxygen atoms
• Authors of publication: Yamane, Hisanori; Hiraka, Keita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1366 - 1368
• a: 10.3198 ± 0.0002 Å
• b: 10.3198 ± 0.0002 Å
• c: 7.3684 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 784.72 ± 0.02 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes