Information card for entry 2018889

Structure parameters

• Chemical name: Potassium barium gallium tin
• Formula: Ba15.1 Ga31 K0.9 Sn105
• Calculated formula: Ba15.216 Ga30.96 K0.784 Sn105.04
• Title of publication: K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)
• Authors of publication: Schäfer, Marion C.; Bobev, Svilen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 319 - 323
• a: 17.0178 ± 0.0004 Å
• b: 17.0178 ± 0.0004 Å
• c: 17.0178 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4928.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes