Information card for entry 4120134

Structure parameters

• Formula: Na2 Sn5 Zn
• Calculated formula: Na1.9998 Sn4.9998 Zn1.0002
• Title of publication: Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~
• Authors of publication: Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10654 - 10663
• a: 6.451 ± 0.001 Å
• b: 6.451 ± 0.001 Å
• c: 6.237 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 224.78 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 3
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No