Information card for entry 4003855

Structure parameters

• Formula: As Na Sn
• Calculated formula: As Na Sn
• Title of publication: Computationally Guided Discovery of Axis-Dependent Conduction Polarity in NaSnAs Crystals
• Authors of publication: Ochs, Andrew M.; Gorai, Prashun; Wang, Yaxian; Scudder, Michael R.; Koster, Karl; Moore, Curtis E.; Stevanovic, Vladan; Heremans, Joseph P.; Windl, Wolfgang; Toberer, Eric S.; Goldberger, Joshua E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 4.015 ± 0.0018 Å
• b: 4.015 ± 0.0018 Å
• c: 11.766 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 164.26 ± 0.13 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No