Information card for entry 4308071

Structure parameters

• Formula: Ba2 Ca2 Sn6
• Calculated formula: Ba2 Ca2 Sn6
• Title of publication: M2Ba2Sn6 (M =Yb, Ca): Metallic Zintl Phases with a Novel Tin Chain Substructure
• Authors of publication: Ming-Hui Ge; John D. Corbett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4138 - 4144
• a: 15.912 ± 0.003 Å
• b: 9.4974 ± 0.0019 Å
• c: 17.184 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2596.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No