Information card for entry 1508411

Structure parameters

• Formula: As7 Cs2 Na
• Calculated formula: As7 Cs2 Na
• SMILES: [As-]1[As]2[As]3[As]2[As-][As]1[As-]3.[Na+].[Cs+].[Cs+]
• Title of publication: New Compounds with [As7]3- Clusters: Synthesis and Crystal Structures of the Zintl Phases Cs2NaAs7, Cs4ZnAs14 and Cs4CdAs14
• Authors of publication: Hua, He; Chauntae, Tyson; Svilen, Bobev
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 87 - 98
• a: 11.7671 ± 0.0018 Å
• b: 10.8528 ± 0.0017 Å
• c: 10.2115 ± 0.0015 Å
• α: 90°
• β: 90.213 ± 0.003°
• γ: 90°
• Cell volume: 1304.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No