Information card for entry 7014535

Structure parameters

• Chemical name: barium thorium hexafluorid
• Formula: Ba F6 Th
• Calculated formula: Ba F6.0008 Th1.0002
• Title of publication: Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
• Authors of publication: Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 1902 - 1910
• a: 4.293 ± 0.001 Å
• b: 4.293 ± 0.001 Å
• c: 7.568 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 120.79 ± 0.04 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Goodness-of-fit parameter for all reflections included in the refinement: 2.23
• Diffraction radiation wavelength: 0.47686 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No