Information card for entry 1562455

Structure parameters

• Formula: Bi F0.46 La O0.54 S2
• Calculated formula: Bi La O S2
• Title of publication: Crystal structures of LaO1−xFxBiS2 (x~0.23, 0.46): Effect of F doping on distortion of Bi‒S plane
• Authors of publication: Miura, Akira; Nagao, Masanori; Takei, Takahiro; Watauchi, Satoshi; Tanaka, Isao; Kumada, Nobuhiro
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 212
• Pages of publication: 213 - 217
• a: 4.063 ± 0.002 Å
• b: 4.063 ± 0.002 Å
• c: 13.345 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 220.3 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 297 ± 3 K
• Number of distinct elements: 5
• 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 significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No