Information card for entry 3500047

Structure parameters

• Formula: F6 K2 Zr
• Calculated formula: F6 K2 Zr
• Title of publication: Polymorphism of K~2~ZrF~6~ by synchrotron powder diffraction and DFT
• Authors of publication: Lubomir Smrcok; Armel Le Bail; Miroslav Boca
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 6.4084 ± 0.00005 Å
• b: 20.76974 ± 0.00018 Å
• c: 19.9888 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660.53 ± 0.04 ų
• Cell temperature: 568 K
• Ambient diffraction temperature: 568 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor R(I) for significantly intense reflections: 7.6317
• Goodness-of-fit parameter for all reflections: 3.73
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.82711 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No