Information card for entry 3500058

Structure parameters

• Formula: Cr F13 Pb5
• Calculated formula: Cr F12 Pb5
• Title of publication: Approaching the crystal structure of Pb5CrF13 (a big mess indeed : systematic twinning)
• Authors of publication: Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 8.2137 ± 0.001 Å
• b: 6.0253 ± 0.001 Å
• c: 12.282 ± 0.001 Å
• α: 90°
• β: 100.1 ± 0.001°
• γ: 90°
• Cell volume: 598.42 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.3216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No