Information card for entry 7714604

Structure parameters

• Formula: Cl2 Mg2 P Rb S4
• Calculated formula: Cl2 Mg2 P Rb S4
• Title of publication: Na₆Mg₃P₄S₁₆ and RbMg₂PS₄Cl₂: two Mg-based thiophosphates with ultrawide bandgaps resulting from [MgS₆] and [MgS_<i>x</i>Cl_6-<i>x</i>] octahedra.
• Authors of publication: Huang, Yi; Chu, Dongdong; Hou, Xueling; Li, Guangmao; Zhang, Yong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 866 - 871
• a: 17.2779 ± 0.0007 Å
• b: 7.2426 ± 0.0004 Å
• c: 8.8927 ± 0.0004 Å
• α: 90°
• β: 118.839 ± 0.002°
• γ: 90°
• Cell volume: 974.79 ± 0.08 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No