Information card for entry 8103035

Structure parameters

• Formula: P1.4 S0.6 Zr
• Calculated formula: P1.4 S0.6 Zr
• Title of publication: Crystal structure of zirconium phosphide sulphide, ZrP1.4S0.6
• Authors of publication: Andreas Schlechte; Katrin Meier; Rainer Niewa; Yurii Prots; Marcus Schmidt; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 375
• a: 3.5854 ± 0.0002 Å
• b: 3.5854 ± 0.0002 Å
• c: 7.8195 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 100.52 ± 0.01 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No