Structure 1515541

1515490 << 1515541 >> 1515542
Original COD entry Download CIF Download DOT

Citation: Bacsa, J.; Ganin, A. Y.; Takabayashi, Y.; Christensen, K. E.; Prassides, K.; Rosseinsky, M. J.; Claridge, J. B. (2011). Cation vacancy order in the K0.8+xFe1.6−ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies. Chemical Science, 2, pp. 1054-.

Formula: Fe15.631 K8.622 Se20

Cell parameters:

  • a = 8.7653(2) Å
  • b = 8.7653(2) Å
  • c = 13.8811(5) 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 2

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

Dimensionality: 2

Formula: Fe10 Se10 (Fe Se)

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 2

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

Dimensionality: 2

Formula: Fe10 Se10 (Fe Se)

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}