Structure 1000378

1000377 << 1000378 >> 1000379
Original COD entry Download CIF Download DOT

Citation: Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P (1995). Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6. Journal of Alloys Compd., 218, pp. 157-164.

Formula: Cu0.975 In P2 S6

Chemical name: Copper indium hexathiodiphosphate(IV) (1/1/1)

Cell parameters:

  • a = 6.0956(4) Å
  • b = 10.5645(6) Å
  • c = 13.6230(8) Å
  • α = 90°
  • β = 107.101(3)°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Cu4 In2 P4 S12 (Cu2 In P2 S6)

Multiplicity: 1

Coordination sequences:

  • 3, 11, 16, 24, 27, 36, 35, 48, 45, 60
  • 4, 9, 18, 24, 30, 30, 42, 39, 54, 51
  • 6, 12, 18, 18, 30, 30, 42, 42, 54, 48
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Cu4 In2 P4 S12 (Cu2 In P2 S6)

Multiplicity: 1

Coordination sequences:

  • 3, 11, 16, 24, 27, 36, 35, 48, 45, 60
  • 4, 9, 18, 24, 30, 30, 42, 39, 54, 51
  • 6, 12, 18, 18, 30, 30, 42, 42, 54, 48
span 1 {1 1 1}