Information card for entry 3500022

Structure parameters

• Formula: F9 Fe H2 O Pb3
• Calculated formula: F9 Fe H2 O Pb3
• Title of publication: Crystal structure of Pb3FeF9.H2O
• Authors of publication: Armel Le Bail
• Journal of publication: Personal communication to COD
• Year of publication: 2015
• a: 5.754 ± 0.003 Å
• b: 5.939 ± 0.003 Å
• c: 12.786 ± 0.006 Å
• α: 98.28 ± 0.03°
• β: 94.04 ± 0.03°
• γ: 90.83 ± 0.03°
• Cell volume: 431.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes