Information card for entry 4307486

Structure parameters

• Formula: Ca21 Mn4 Sb18
• Calculated formula: Ca21 Mn4 Sb18
• SMILES: [Ca].[Ca].[Sb].[Ca].[Ca].[Ca].[Sb].[Ca].[Ca].[Sb].[Mn].[Ca].[Sb].[Ca].[Sb].[Mn].[Sb].[Mn].[Ca].[Sb].[Ca].[Sb].[Ca].[Sb].[Mn].[Sb].[Sb].[Sb].[Sb].[Sb].[Sb].[Sb].[Ca].[Sb].[Ca].[Ca].[Ca].[Ca].[Ca].[Sb].[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: 17.415 ± 0.006 Å
• b: 16.567 ± 0.006 Å
• c: 17.047 ± 0.006 Å
• α: 90°
• β: 92.068 ± 0.004°
• γ: 90°
• Cell volume: 4915 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No