Information card for entry 1563265

Structure parameters

• Formula: Al14.22 Ba7.36 Si31.78 Sr0.6
• Calculated formula: Al14.236 Ba7.3616 Si31.764 Sr0.6
• Title of publication: Crystal structure, characterization and thermoelectric properties of the type-I clathrate Ba8−ySryAl14Si32 (0.6≤y≤1.3) prepared by aluminum flux
• Authors of publication: Roudebush, John H.; Toberer, Eric S.; Hope, Håkon; Jeffrey Snyder, G.; Kauzlarich, Susan M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 5
• Pages of publication: 1176 - 1185
• a: 10.604 ± 0.0004 Å
• b: 10.604 ± 0.0004 Å
• c: 10.604 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.36 ± 0.08 ų
• Cell temperature: 12 ± 0.5 K
• Ambient diffraction temperature: 12 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No