Information card for entry 4312030

Structure parameters

• Formula: Cs Nd Te3 Zn
• Calculated formula: Cs Nd Te3 Zn
• Title of publication: Syntheses, Structure, Some Band Gaps, and Electronic Structures of CsLnZnTe3 (Ln = La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Y)
• Authors of publication: Jiyong Yao; Bin Deng; Leif J. Sherry; Adam D. McFarland; Donald E. Ellis; Richard P. Van Duyne; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7735 - 7740
• a: 4.4702 ± 0.0005 Å
• b: 16.6648 ± 0.0017 Å
• c: 11.8656 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 883.93 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No