Information card for entry 4003094

Structure parameters

• Formula: Ca8.11 Mn4 Nd0.89 Sb9
• Calculated formula: Ca8.132 Mn4 Nd0.868 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: 12.4062 ± 0.0009 Å
• b: 22.0551 ± 0.0015 Å
• c: 4.612 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1261.94 ± 0.15 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: 0.0288
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No