Structure 1000355

1000354 << 1000355 >> 1000357
Original COD entry Download CIF Download DOT

Citation: Maisonneuve, V; Cajipe, V B; Payen, C (1993). Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice. Chemistry of Materials (1,1989-, 5, pp. 758-760.

Formula: Cr Cu P2 S6

Chemical name: Copper(I) chromium hexathio-duo-diphosphate(IV)

Cell parameters:

  • a = 5.935(6) Å
  • b = 10.282(2) Å
  • c = 13.368(13) Å
  • α = 90°
  • β = 106.78(7)°
  • γ = 90°

List type: interleaving

List: 2D

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

Dimensionality: 2

Formula: Cr2 Cu2 P4 S12 (Cr Cu P2 S6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 20, 18, 31, 26, 46, 39, 52
  • 2, 8, 12, 19, 18, 33, 26, 47, 36, 55
  • 2, 8, 12, 20, 18, 32, 26, 48, 36, 52
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 12, 22, 20, 35, 28, 45, 37, 62
  • 3, 10, 12, 23, 20, 32, 28, 48, 38, 57
  • 3, 10, 13, 22, 20, 36, 28, 45, 36, 62
  • 4, 7, 15, 18, 28, 21, 40, 37, 51, 42
  • 4, 8, 15, 18, 29, 21, 41, 35, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Cr2 Cu2 P4 S12 (Cr Cu P2 S6)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 11, 20, 18, 31, 26, 46, 39, 52
  • 2, 8, 12, 19, 18, 33, 26, 47, 36, 55
  • 2, 8, 12, 20, 18, 32, 26, 48, 36, 52
  • 3, 6, 21, 18, 27, 24, 39, 30, 57, 42
  • 3, 10, 12, 22, 20, 35, 28, 45, 37, 62
  • 3, 10, 12, 23, 20, 32, 28, 48, 38, 57
  • 3, 10, 13, 22, 20, 36, 28, 45, 36, 62
  • 4, 7, 15, 18, 28, 21, 40, 37, 51, 42
  • 4, 8, 15, 18, 29, 21, 41, 35, 51, 42
  • 6, 9, 15, 12, 30, 27, 42, 33, 51, 36
span 1 {1 1 1}