Information card for entry 2013389

Structure parameters

• Common name: Lanthanum titanium oxysulfide
• Chemical name: hexadecalanthanum pentatitanium heptadecasulfide heptadecaoxide
• Formula: La16 O17 S17.75 Ti5
• Calculated formula: La16 O17 S17.75 Ti5
• Title of publication: A new lanthanum titanium oxysulfide, La~16~Ti~5~S~17+<i>x~</i>O~17~, with <i>x</i>=0.75(9)
• Authors of publication: Meignen, Vincent; Lafond, Alain; Cario, Laurent; Deudon, Catherine; Meerschaut, Alain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: i63 - i64
• a: 22.633 ± 0.003 Å
• b: 22.633 ± 0.003 Å
• c: 4.0252 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2061.9 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No