Information card for entry 2236592

Structure parameters

• Chemical name: Titanium(II) thiogermanate(IV)
• Formula: Ge S3 Ti
• Calculated formula: Ge S3 Ti
• SMILES: [Ge]1[S]2[Ti]345(S1)S[Ti]1([S]36)[S]3[Ge](S1)[S]1[Ti]367([S]4[Ti]3([S]5[Ge]2S3)S7)S[Ge]1
• Title of publication: TiGeS~3~
• Authors of publication: Kim, Pilsoo; Yun, Hoseop
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: i72
• a: 8.9263 ± 0.0008 Å
• b: 3.4673 ± 0.0003 Å
• c: 13.2596 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 410.39 ± 0.07 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes