Structure 1527568

1527567 << 1527568 >> 1527569
Original COD entry Download CIF Download DOT

Citation: Iglesias, J.E.; Pachali, K.E.; Steinfink, H. (1972). The crystal structures and phase transition of alpha and beta Ba Cu4 S3. Materials Research Bulletin, 7, pp. 1247-1258.

Formula: Ba Cu4 S3

Cell parameters:

  • a = 4.0584 Å
  • b = 13.8637 Å
  • c = 10.3733 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: Cu8 S6 (Cu4 S3)

Multiplicity: 1

Coordination sequences:

  • 4, 15, 28, 38, 50, 58, 66, 82, 90, 102
  • 6, 24, 26, 42, 50, 66, 70, 82, 94, 106
  • 8, 16, 35, 38, 56, 54, 80, 78, 100, 94
  • 10, 20, 30, 42, 50, 64, 70, 86, 90, 108
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Cu8 S6 (Cu4 S3)

Multiplicity: 1

Coordination sequences:

  • 4, 15, 28, 38, 50, 58, 66, 82, 90, 102
  • 6, 24, 26, 42, 50, 66, 70, 82, 94, 106
  • 8, 16, 35, 38, 56, 54, 80, 78, 100, 94
  • 10, 20, 30, 42, 50, 64, 70, 86, 90, 108
span 1 {1 1 1}