Information card for entry 1545777

Structure parameters

• Formula: Ba F6 Zr
• Calculated formula: Ba F6 Zr
• SMILES: [Ba+2].[Ba+2].[Zr]1(F)(F)(F)(F)[F][Zr]([F]1)(F)(F)(F)(F)(F)F
• Title of publication: Neue Hexafluorozirkonate(IV): BaZrF6, PbZrF6, EuZrF6, SrZrF6
• Authors of publication: Mehlhorn, Von B; Hoppe, R
• Journal of publication: Zeitschrift fur anorganische und allgemeine Chemie
• Year of publication: 1976
• Journal volume: 425
• Pages of publication: 180 - 188
• a: 7.681 Å
• b: 11.357 Å
• c: 5.511 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 480.742 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No