Structure 4105679

4105650 << 4105679 >> 4105681
Original COD entry Download CIF Download DOT

Citation: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zolt\'an A. G\'al; Simon J. Clarke (2011). High-Spin Cobalt(II) Ions in Square Planar Coordination: Structures and Magnetism of the Oxysulfides Sr2CoO2Cu2S2 and Ba2CoO2Cu2S2 and Their Solid Solution. Journal of the American Chemical Society, 133, pp. 2691-2705.

Formula: Ba4 Co2 Cu3.89 O4 S4

Chemical name: ?

Cell parameters:

  • a = 4.07110(10) Å
  • b = 4.07110(10) Å
  • c = 18.9094(6) Å
  • α = 90°
  • β = 90°
  • 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 4

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

Dimensionality: 2

Formula: Cu2 S2 (Cu S)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Cu2 S2 (Cu S)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Co O2 (Co O2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 10, 24, 14, 32, 18, 40
  • 4, 4, 12, 8, 20, 12, 28, 16, 36, 20
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Co O2 (Co O2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 10, 24, 14, 32, 18, 40
  • 4, 4, 12, 8, 20, 12, 28, 16, 36, 20
span 1 {1 1 1}