Information card for entry 7706063

Structure parameters

• Formula: P Pb S3
• Calculated formula: P Pb S3
• Title of publication: Experimental and theoretical studies of the ternary thiophosphate PbPS₃ featuring ethane-like [P₂S₆]^4- units.
• Authors of publication: Wang, Peng; Abudoureheman, Maierhaba; Chen, Zhaohui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17221 - 17229
• a: 6.603 ± 0.003 Å
• b: 7.456 ± 0.004 Å
• c: 9.401 ± 0.005 Å
• α: 90°
• β: 91.618 ± 0.006°
• γ: 90°
• Cell volume: 462.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No