Information card for entry 4003004

Structure parameters

• Formula: As8 Mg3 Si3
• Calculated formula: As8 Mg3 Si3
• Title of publication: Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity
• Authors of publication: Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 8286
• a: 12.5046 ± 0.0006 Å
• b: 7.6471 ± 0.0003 Å
• c: 12.9975 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.87 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0137
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No