Information card for entry 1546185

Structure parameters

• Formula: Ag Cl6 Cs2 Sb
• Calculated formula: Ag Cl6 Cs2 Sb
• Title of publication: Designing Indirect-Direct Bandgap Transitions in Double Perovskites
• Authors of publication: Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.; Morey, Jennifer R.; McQueen, Tyrel M.
• Journal of publication: Mater. Horiz.
• Year of publication: 2017
• a: 10.664 ± 0.01 Å
• b: 10.664 ± 0.01 Å
• c: 10.664 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1213 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0101
• Residual factor for significantly intense reflections: 0.0088
• Weighted residual factors for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No