Information card for entry 4312691

Structure parameters

• Common name: cs13nb2in6as10
• Formula: As10 Cs13 In6 Nb2
• Calculated formula: As10 Cs13 In6 Nb2
• SMILES: [Nb]12([As]3[In]4[As]2[In]2([In]56[As]7[In]8[As]6[In]6[As]5[Nb]7([As]86)[As])[As]1[In]3[As]42)[As].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+]
• Title of publication: Synthesis and Characterization of Transition-Metal Zintl Phases: Cs24Nb2In12As18 and Cs13Nb2In6As10 with Isolated Complex Anions
• Authors of publication: Franck Gascoin; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8567 - 8571
• a: 9.5564 ± 0.0005 Å
• b: 9.6288 ± 0.0005 Å
• c: 13.9071 ± 0.0007 Å
• α: 83.7911 ± 0.0008°
• β: 80.2973 ± 0.0008°
• γ: 64.9796 ± 0.0008°
• Cell volume: 1142.03 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No