Information card for entry 4337092

Structure parameters

• Formula: Li0.976 Pb0.911 S6 Sb3.068
• Calculated formula: Li0.975 Pb0.911 S6 Sb3.068
• Title of publication: LiPbSb3S6: A Semiconducting Sulfosalt with Very Low Thermal Conductivity.
• Authors of publication: Agha, Eva C.; Malliakas, Christos D.; Im, Jino; Jin, Hosub; Zhao, Li-Dong; Freeman, Arthur J.; Kanatzidis, Mercouri G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 673 - 675
• a: 6.8964 ± 0.0005 Å
• b: 19.7941 ± 0.0018 Å
• c: 8.3942 ± 0.0006 Å
• α: 90°
• β: 108.038 ± 0.005°
• γ: 90°
• Cell volume: 1089.56 ± 0.15 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: 0.0629
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No