Structure 9007373

9007372 << 9007373 >> 9007374
Original COD entry Download CIF Download DOT

Citation: Caracas, R.; Gonze, X. (2005). First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory. Physics and Chemistry of Minerals, 32, pp. 295-300.

Formula: S3 Sb2

Cell parameters:

  • a = 11.311 Å
  • b = 3.836 Å
  • c = 11.229 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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 4

Basis: (0;1;0)

Dimensionality: 1

Formula: S3 Sb2 (S3 Sb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: S3 Sb2 (S3 Sb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: S3 Sb2 (S3 Sb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: S3 Sb2 (S3 Sb2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}