Information card for entry 4313795

Structure parameters

• Formula: Cs Hg Se3 Y
• Calculated formula: Cs Hg Se3 Y
• Title of publication: The CsLnMSe3 Semiconductors (Ln = Rare-Earth Element, Y; M = Zn, Cd, Hg)
• Authors of publication: Kwasi Mitchell; Fu Qiang Huang; Adam D. McFarland; Christy L. Haynes; Rebecca C. Somers; Richard P. Van Duyne; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4109 - 4116
• a: 4.2226 ± 0.0018 Å
• b: 15.839 ± 0.007 Å
• c: 10.997 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 735.5 ± 0.6 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: 0.0262
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No