Information card for entry 4328786

Structure parameters

• Formula: Al9.98 Ba7.96 Si35.95
• Calculated formula: Al9.9734 Ba7.9628 Si35.96
• Title of publication: Phase Range of the Type-I Clathrate Sr8AlxSi46-x and Crystal Structure of Sr8Al10Si36
• Authors of publication: John H. Roudebush; Naohito Tsujii; Antonio Hurtando; Håkon Hope; Yuri Grin; Susan M. Kauzlarich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4161 - 4169
• a: 10.5148 ± 0.0001 Å
• b: 10.5148 ± 0.0001 Å
• c: 10.5148 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.53 ± 0.019 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No