Information card for entry 2021000

Structure parameters

• Chemical name: Strontium hafnium hexafluoride
• Formula: F12 Hf2 Sr2
• Calculated formula: F12 Hf2 Sr2
• SMILES: [Hf]1(F)(F)([F][Hf](F)([F]1)(F)(F)(F)F)(F)(F)F.[Sr+2].[Sr+2]
• Title of publication: High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids
• Authors of publication: Laval, Jean-Paul; Mayet, Richard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 5.9762 ± 0.001 Å
• b: 5.9949 ± 0.001 Å
• c: 14.426 ± 0.003 Å
• α: 90°
• β: 99.36 ± 0.05°
• γ: 90°
• Cell volume: 509.96 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes