Information card for entry 4337238

Structure parameters

• Formula: Ba Pr S6 Sn2
• Calculated formula: Ba Pr S6 Sn2
• Title of publication: New Quaternary Rare-Earth Chalcogenides BaLnSn2Q6 (Ln = Ce, Pr, Nd, Q = S; Ln = Ce, Q = Se): Synthesis, Structure, and Magnetic Properties.
• Authors of publication: Feng, Kai; Zhang, Xu; Yin, Wenlong; Shi, Youguo; Yao, Jiyong; Wu, Yicheng
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2248 - 2253
• a: 4.0478 ± 0.0002 Å
• b: 19.8914 ± 0.0007 Å
• c: 11.9303 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 960.58 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No