Information card for entry 1568613

Structure parameters

• Formula: Cl6 Cs2 Mo Na
• Calculated formula: Cl6 Cs2 Mo Na
• SMILES: Cl[Mo](Cl)(Cl)([Cl-])([Cl-])[Cl-].[Na+].[Cs+].[Cs+]
• Title of publication: Molybdenum chloride double perovskites: dimensionality control of optical and magnetic properties.
• Authors of publication: Binwal, Devesh Chandra; Mudoi, Prashurya Pritam; Panda, Debendra Prasad; Vishnoi, Pratap
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3982 - 3989
• a: 10.4129 ± 0.0001 Å
• b: 10.4129 ± 0.0001 Å
• c: 10.4129 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1129.06 ± 0.019 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0161
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No