Information card for entry 7122654

Structure parameters

• Formula: Cl Cs2 Ga3 Mn2 S7
• Calculated formula: Cl Cs2 Ga3 Mn2 S7
• Title of publication: An Unprecedented Pentanary Chalcohalide with the Mn Atoms in Two Chemical Environments: Unique Bonding Characteristics and Magnetic Properties
• Authors of publication: Zheng, Yu-Jun; Shi, Yong-Fang; Tian, Chong-Bin; Lin, Hua; Wu, Li-Ming; WU, XIN-TAO; Zhu, Qi-Long
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 6.2467 ± 0.0006 Å
• b: 7.3879 ± 0.0008 Å
• c: 33.6 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No