Information card for entry 4316008

Structure parameters

• Formula: Mn3 Pr2 S12 Sb4
• Calculated formula: Mn3 Pr2 S12 Sb4
• Title of publication: Syntheses, Crystal and Electronic Structures, and Physical Properties of Quaternary Semiconductors: Ln2Mn3Sb4S12 (Ln = Pr, Nd, Sm, Gd)
• Authors of publication: Hua-Jun Zhao; Long-Hua Li; Li-Ming Wu; Ling Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5811 - 5817
• a: 19.928 ± 0.002 Å
• b: 3.9323 ± 0.0004 Å
• c: 14.9209 ± 0.0016 Å
• α: 90°
• β: 126.62 ± 0.002°
• γ: 90°
• Cell volume: 938.45 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No