Information card for entry 1545629

Structure parameters

• Formula: Ca F5 Ti
• Calculated formula: Ca F5 Ti
• SMILES: [Ti](F)(F)(F)(F)[F][Ti](F)(F)(F)(F)[F].[Ca+2].[Ca+2]
• Title of publication: Crystal structures and magnetic properties of BaTiF5 and CaTiF5
• Authors of publication: Eicher, S. M.; Greedan, J. E.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1984
• Journal volume: 52
• Pages of publication: 12 - 21
• a: 9.08 ± 0.004 Å
• b: 6.614 ± 0.002 Å
• c: 7.696 ± 0.003 Å
• α: 90°
• β: 115.16 ± 0.03°
• γ: 90°
• Cell volume: 418.3 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0211
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No