Information card for entry 2015343

Structure parameters

• Common name: barium fluoride chloride
• Chemical name: heptabarium dodecafluoride dichloride
• Formula: Ba4.6667 Cl1.3333 F8
• Calculated formula: Ba4.66667 Cl1.33333 F8
• Title of publication: A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~
• Authors of publication: Bernsteiner, Anita; Kubel, Frank
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: i41 - i42
• a: 21.3281 ± 0.0007 Å
• b: 21.3281 ± 0.0007 Å
• c: 4.1993 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1654.29 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 174
• Hermann-Mauguin space group symbol: P -6
• Hall space group symbol: P -6
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0309
• Goodness-of-fit parameter for all reflections: 2.382
• Goodness-of-fit parameter for all reflections included in the refinement: 2.3821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No