Information card for entry 4001689

Structure parameters

• Formula: As27.8 K7.22 Zn18.2
• Calculated formula: As27.8 K7.222 Zn18.2
• Title of publication: Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28
• Authors of publication: He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 3596
• a: 10.7173 ± 0.0006 Å
• b: 10.7173 ± 0.0006 Å
• c: 10.7173 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.99 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No