Information card for entry 4102275

Structure parameters

• Formula: P Rb S6 Zr
• Calculated formula: P Rb S6 Zr
• Title of publication: Room Temperature Light Emission from the Low-Dimensional Semiconductors AZrPS6 (A = K, Rb, Cs)
• Authors of publication: Santanu Banerjee; Jodi M. Szarko; Benjamin D. Yuhas; Christos D. Malliakas; Lin X. Chen; Mercouri G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5348 - 5350
• a: 3.5979 ± 0.0019 Å
• b: 9.064 ± 0.005 Å
• c: 14.452 ± 0.008 Å
• α: 75.267 ± 0.013°
• β: 83.602 ± 0.009°
• γ: 87.354 ± 0.009°
• Cell volume: 452.9 ± 0.4 ų
• Ambient diffraction temperature: 298 ± 3 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Goodness-of-fit parameter for all reflections included in the refinement: 1.62
• Diffraction radiation wavelength: 0.4428 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No