Information card for entry 4131436

Structure parameters

• Formula: Cs2 P2 Se6 Sn
• Calculated formula: Cs2 P2 Se6 Sn
• Title of publication: Panoramic Synthesis as an Effective Materials Discovery Tool: The System Cs/Sn/P/Se as a Test Case.
• Authors of publication: Haynes, Alyssa S.; Stoumpos, Constantinos C.; Chen, Haijie; Chica, Daniel; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10814 - 10821
• a: 10.2296 ± 0.0014 Å
• b: 12.9904 ± 0.0011 Å
• c: 10.9495 ± 0.0015 Å
• α: 90°
• β: 94.529 ± 0.011°
• γ: 90°
• Cell volume: 1450.5 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for significantly intense reflections: 3.71
• Goodness-of-fit parameter for all reflections included in the refinement: 3.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No