Information card for entry 4307485

Structure parameters

• Formula: Bi18 Ca21 Mn4
• Calculated formula: Bi18 Ca21 Mn4
• SMILES: [Ca].[Ca].[Bi].[Ca].[Ca].[Ca].[Bi].[Ca].[Ca].[Bi].[Mn].[Ca].[Bi].[Ca].[Bi].[Mn].[Bi].[Mn].[Ca].[Bi].[Ca].[Bi].[Ca].[Bi].[Mn].[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[Bi].[Ca].[Bi].[Ca].[Ca].[Ca].[Ca].[Ca].[Bi].[Ca].[Ca].[Ca]
• Title of publication: Diverse Polyanions Based on MnBi4 and MnSb4 Tetrahedra: Polymorphism, Structure, and Bonding in Ca21Mn4Bi18 and Ca21Mn4Sb18
• Authors of publication: Sheng-qing Xia; Svilen Bobev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 874 - 883
• a: 17.47 ± 0.002 Å
• b: 17.392 ± 0.002 Å
• c: 17.208 ± 0.002 Å
• α: 90°
• β: 93.253 ± 0.002°
• γ: 90°
• Cell volume: 5220 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No