Information card for entry 2241363

Structure parameters

• Chemical name: Tetracalcium triarsenide
• Formula: As3 Ca4
• Calculated formula: As3 Ca4
• SMILES: [As-3].[As-3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[As-2][As-2].[As-3].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[As-3]
• Title of publication: Ca~4~As~3~ ‒ a new binary calcium arsenide
• Authors of publication: Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1548 - 1550
• a: 11.5137 ± 0.0005 Å
• b: 12.0584 ± 0.0006 Å
• c: 10.3426 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.93 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes