Information card for entry 2014900

Structure parameters

• Common name: Titanium(III)-oxybromide
• Chemical name: titanium(III) oxybromide
• Formula: Br O Ti
• Calculated formula: Br O Ti
• Title of publication: The twofold superstructure of titanium(III) oxybromide at <i>T</i> = 17.5 K
• Authors of publication: Palatinus, Lukáš; Schönleber, Andreas; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: i47 - i48
• a: 3.7852 ± 0.0012 Å
• b: 6.9366 ± 0.0009 Å
• c: 8.501 ± 0.003 Å
• α: 90 ± 0.02°
• β: 90°
• γ: 90°
• Cell volume: 223.21 ± 0.11 ų
• Cell temperature: 17.5 K
• Ambient diffraction temperature: 17.5 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21/m 1 1
• Hall space group symbol: P -2x 2xabv
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.5 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes