Information card for entry 4002988

Structure parameters

• Formula: Li3.58 P0.5 S4 Si0.5
• Calculated formula: Li3.57 P0.5 S4 Si0.5
• Title of publication: An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4
• Authors of publication: Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 7801
• a: 13.4165 ± 0.0019 Å
• b: 7.9107 ± 0.0011 Å
• c: 6.1283 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 650.42 ± 0.15 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No