Information card for entry 4106296

Structure parameters

• Formula: Ga16 N2 S12.33 Se20.67 Zn4
• Calculated formula: Ga16 N2 S12.33 Se20.6692 Zn4
• Title of publication: Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides
• Authors of publication: Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9616 - 9625
• a: 23.5451 ± 0.0002 Å
• b: 23.5451 ± 0.0002 Å
• c: 41.2267 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22854.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No