Information card for entry 2210774

Structure parameters

• Chemical name: Thallium lead tetrathiophosphate
• Formula: P Pb S4 Tl
• Calculated formula: P Pb S4 Tl
• SMILES: [Pb+2].[S-]P([S-])(=S)[S-].[Tl+]
• Title of publication: TlPbPS~4~
• Authors of publication: Belkyal, Imane; El Azhari, Mohamed; Bensch, Wolfgang; Depmeier, Wulf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: i210 - i212
• a: 12.0976 ± 0.0009 Å
• b: 6.5816 ± 0.0005 Å
• c: 8.8093 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 701.41 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes