Information card for entry 1559807

Structure parameters

• Common name: Kaatialaite
• Formula: As3 Fe H16 O17
• Calculated formula: As3 Fe H16 O17
• Title of publication: Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction
• Authors of publication: Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub
• Journal of publication: IUCrJ
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 116 - 123
• a: 15.4357 Å
• b: 20.01 Å
• c: 4.7994 Å
• α: 90°
• β: 91.728°
• γ: 90°
• Cell volume: 1481.71 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.4453
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for significantly intense reflections: 0
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No