Structure 7246439

7246438 << 7246439 >> 7246443
Original COD entry Download CIF Download DOT

Citation: Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad (2023). Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family. CrystEngComm, 25, pp. 2307-2312.

Formula: Cl0.91 Ga I0.09 Na2 Se2

Cell parameters:

  • a = 7.597(2) Å
  • b = 41.001(11) Å
  • c = 7.583(2) 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;0;1)

Dimensionality: 2

Formula: Ga4 Se8 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Ga4 Se8 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Ga4 Se8 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Ga4 Se8 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}