Information card for entry 7030418

Structure parameters

• Formula: Cu0.56 P2 Si1.44
• Calculated formula: Cu0.552 P2 Si1.448
• Title of publication: Composition, structure, bonding and thermoelectric properties of "CuT2P3" and "CuT4P3", members of the T(1-x)(CuP3)x series with T being Si and Ge.
• Authors of publication: Wang, Peng; Ahmadpour, Faraz; Kolodiazhnyi, Taras; Kracher, Alfred; Cranswick, Lachlan M. D.; Mozharivskyj, Yurij
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 1105 - 1112
• a: 3.6953 ± 0.001 Å
• b: 3.6953 ± 0.001 Å
• c: 5.225 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71.35 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 119
• Hermann-Mauguin space group symbol: I -4 m 2
• Hall space group symbol: I -4 -2
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0118
• Weighted residual factors for significantly intense reflections: 0.0186
• Weighted residual factors for all reflections included in the refinement: 0.0192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No