Information card for entry 4328968

Structure parameters

• Formula: Ba8 Ni3.2 Si42.4
• Calculated formula: Ba8 Ni3.1998 Si42.448
• Title of publication: Synthesis, Crystal Structure, and Physical Properties of the Type-I Clathrate Ba8-δNix( )ySi46-x-y
• Authors of publication: U. Aydemir; C. Candolfi; A. Ormeci; H. Borrmann; U. Burkhardt; Y. Oztan; N. Oeschler; M. Baitinger; F. Steglich; Yu. Grin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4730 - 4741
• a: 10.2922 ± 0.0001 Å
• b: 10.2922 ± 0.0001 Å
• c: 10.2922 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1090.25 ± 0.018 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0451
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No