Information card for entry 4514492

Structure parameters

• Formula: Cl6 Cs2 Na V
• Calculated formula: Cl6 Cs2 Na V
• SMILES: [V](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].[Cs+].[Na+].[Cs+]
• Title of publication: Cs₂NaVCl₆: A Pb-Free Halide Double Perovskite with Strong Visible and Near-Infrared Light Absorption.
• Authors of publication: Cao, Xiangrong; Kang, Lei; Guo, Shaoxing; Zhang, Minggang; Lin, Zheshuai; Gao, Jianhua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 38648 - 38653
• a: 10.3497 ± 0.0014 Å
• b: 10.3497 ± 0.0014 Å
• c: 10.3497 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0089
• Residual factor for significantly intense reflections: 0.0089
• Weighted residual factors for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections included in the refinement: 0.0259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No