Structure 4108613

4108596 << 4108613 >> 4108614
Original COD entry Download CIF Download DOT

Citation: Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke (2008). Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2. Journal of the American Chemical Society, 130, pp. 14426-14427.

Formula: Ag2 Ba2 O2 Se2 Zn0.953

Cell parameters:

  • a = 19.8377(16) Å
  • b = 6.0562(6) Å
  • c = 6.0570(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 4

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

Dimensionality: 2

Formula: Ag4 Se4 (Ag 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 4

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

Dimensionality: 2

Formula: Ag4 Se4 (Ag 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 2, entity 3 of 4

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

Dimensionality: 2

Formula: O4 Zn2 (O2 Zn)

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

Dimensionality: 2

Formula: O4 Zn2 (O2 Zn)

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}