Information card for entry 4319683

Structure parameters

• Formula: Cs2 Cu2 Se4 Ti
• Calculated formula: Cs2 Cu2 Se4 Ti
• Title of publication: New Layered Materials: Syntheses, Structures, and Optical Properties of K2TiCu2S4, Rb2TiCu2S4, Rb2TiAg2S4, Cs2TiAg2S4, and Cs2TiCu2Se4
• Authors of publication: Fu Qiang Huang; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2602 - 2607
• a: 5.852 ± 0.002 Å
• b: 5.852 ± 0.002 Å
• c: 14.234 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 487.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 132
• Hermann-Mauguin space group symbol: P 42/m c m
• Hall space group symbol: -P 4c 2c
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No