Information card for entry 7713200

Structure parameters

• Formula: Al Cs3 F6
• Calculated formula: Al Cs3 F6
• Title of publication: Polymorphism in A3MF6 (A = Rb, Cs; M = Al, Ga) Grown using Mixed Halide Fluxes
• Authors of publication: Morrison, Gregory; Masachchi, Lakshani W.; Tisdale, Hunter B.; Chang, Tieyan; Jones, Virginia G.; Zamorano, K. Pilar; Breton, Logan S.; Smith, Mark D.; Chen, Yu-Sheng; Zur Loye, Hans-Conrad
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.0311 ± 0.0006 Å
• b: 18.4837 ± 0.0009 Å
• c: 39.024 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9399.4 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.09 K
• Number of distinct elements: 3
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No