Information card for entry 4002763

Structure parameters

• Formula: Cl4 Li10 P2 S8
• Calculated formula: Cl2 Li5 P S4
• Title of publication: Li3Y(PS4)2 and Li5PS4Cl2: New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations
• Authors of publication: Zhu, Zhuoying; Chu, Iek-Heng; Ong, Shyue Ping
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 2474
• a: 7.21208999 Å
• b: 10.49427605 Å
• c: 6.02392568 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 455.925 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No