Information card for entry 4305049

Structure parameters

• Formula: Ba21 Cd4 Sb18
• Calculated formula: Ba21 Cd4 Sb18
• SMILES: [Ba].[Ba].[Sb].[Ba].[Ba].[Ba].[Sb].[Ba].[Ba].[Sb].[Cd].[Ba].[Sb].[Ba].[Sb].[Cd].[Sb].[Cd].[Ba].[Sb].[Ba].[Sb].[Ba].[Sb].[Cd].[Sb].[Sb].[Sb].[Sb].[Sb].[Sb].[Sb].[Ba].[Sb].[Ba].[Ba].[Ba].[Ba].[Ba].[Sb].[Ba].[Ba].[Ba]
• Title of publication: Zintl Phase Variations Through Cation Selection. Synthesis and Structure of A21Cd4Pn18 (A = Eu, Sr, Ba; Pn = Sb, Bi)
• Authors of publication: Sheng-Qing Xia; Svilen Bobev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1919 - 1921
• a: 18.191 ± 0.006 Å
• b: 19.103 ± 0.006 Å
• c: 37.062 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12879 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No