Information card for entry 4341594

Structure parameters

• Formula: Ca30 Li3.44 Zn59.56
• Calculated formula: Ca30 Li3.444 Zn59.556
• Title of publication: Lithiation-Induced Zinc Clustering of Zn3, Zn12, and Zn18 Units in Zintl-Like Caσim 30Li3+xZn60-x (x = 0.44-1.38).
• Authors of publication: Lin, Qisheng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 922 - 929
• a: 15.4651 ± 0.0009 Å
• b: 15.4651 ± 0.0009 Å
• c: 9.3898 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1944.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No