Information card for entry 7236991

Structure parameters

• Formula: Br9 Cs3 Fe2
• Calculated formula: Br9 Cs3 Fe2
• Title of publication: Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9
• Authors of publication: Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 3573
• a: 7.5427 ± 0.0008 Å
• b: 7.5427 ± 0.0008 Å
• c: 18.5849 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 915.68 ± 0.15 ų
• Cell temperature: 298.6 ± 0.3 K
• Ambient diffraction temperature: 298.6 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No