Information card for entry 4003093

Structure parameters

• Formula: Ca8.15 Mn4 Pr0.85 Sb9
• Calculated formula: Ca8.156 Mn4 Pr0.844 Sb9
• Title of publication: Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors
• Authors of publication: Wang, Yi; Bobev, Svilen
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 3518
• a: 12.4143 ± 0.0011 Å
• b: 22.059 ± 0.002 Å
• c: 4.6139 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.5 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No