Information card for entry 4325074

Structure parameters

• Formula: Ba6.31 Si46
• Calculated formula: Ba6.306 Si46
• Title of publication: Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions
• Authors of publication: Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4523 - 4528
• a: 10.2701 ± 0.0006 Å
• b: 10.2701 ± 0.0006 Å
• c: 10.2701 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1083.24 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 2
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor R(I) for significantly intense reflections: 0.0524
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No