Information card for entry 2311337

Structure parameters

• Chemical name: Lanthanum calcium bismuth oxide fluoride disulfide
• Formula: Bi0.857 Ca0.143 F0.143 La O0.857 S2
• Calculated formula: Bi0.857 Ca0.143 F0.143 La O0.857 S2
• Title of publication: Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2.
• Authors of publication: Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2016
• Journal volume: 72
• Journal issue: Pt 6
• Pages of publication: 845 - 848
• a: 4.0548 ± 0.0009 Å
• b: 4.0548 ± 0.0009 Å
• c: 13.37 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 219.82 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No