Structure 4002762

4002761 << 4002762 >> 4002764
Original COD entry Download CIF Download DOT

Citation: Zhu, Zhuoying; Chu, Iek-Heng; Ong, Shyue Ping (2017). Li3Y(PS4)2 and Li5PS4Cl2: New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations. Chemistry of Materials, 29, pp. 2474-.

Formula: Li12 P8 S32 Y4

Cell parameters:

  • a = 17.10219510 Å
  • b = 9.28947666 Å
  • c = 9.14051850 Å
  • α = 90.00000000°
  • β = 122.34621952°
  • γ = 90.00000000°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: P4 S16 Y2 (P2 S8 Y)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: P4 S16 Y2 (P2 S8 Y)

Multiplicity: 1

span 1 {1 1 1}