Information card for entry 7126123

Structure parameters

• Formula: In3 La3 O3 S6
• Calculated formula: In3 La3 O3 S6
• Title of publication: Structure of the water-splitting photocatalyst oxysulfide α-LaOInS₂ and ab initio prediction of new polymorphs.
• Authors of publication: Kabbour, Houria; Sayede, Adlane; Saitzek, Sébastien; Lefèvre, Gauthier; Cario, Laurent; Trentesaux, Martine; Roussel, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1645 - 1648
• a: 3.985 ± 0.0002 Å
• b: 20.546 ± 0.0013 Å
• c: 14.8477 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1215.67 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for all reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0257
• Goodness-of-fit parameter for all reflections: 1.54
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54187 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No