Information card for entry 2011057

Structure parameters

• Common name: rinneite
• Chemical name: tripotassium sodium hexachloroferrate(II)
• Formula: Cl6 Fe K3 Na
• Calculated formula: Cl6 Fe K3 Na
• SMILES: [Fe](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].[K+].[K+].[K+].[Na+]
• Title of publication: Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K
• Authors of publication: Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e228 - e229
• a: 11.922 ± 0.001 Å
• b: 11.922 ± 0.001 Å
• c: 13.761 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1693.9 ± 0.3 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes