Information card for entry 4001379

Structure parameters

• Common name: Nickel Chromium Phosphorus Sulfide
• Formula: Cr2 Ni3 P2 Se9
• Calculated formula: Cr2 Ni3.0001 P2 Se9
• Title of publication: Ni3Cr2P2Q9(Q = S, Se): New Quaternary Transition Metal Chalcogenides with a Unique Layered Structure
• Authors of publication: McGuire, Michael A.; DiSalvo, Francis J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4600
• a: 6.244 ± 0.004 Å
• b: 6.244 ± 0.004 Å
• c: 18.479 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 623.9 ± 0.9 ų
• Cell temperature: 175 ± 5 K
• Ambient diffraction temperature: 175 ± 5 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No