Structure 7707644

7707643 << 7707644 >> 7707645
Original COD entry Download CIF Download DOT

Citation: Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen (2021). The Zintl phases AIn2As2 (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.. Dalton transactions (Cambridge, England : 2003), 50, pp. 9173-9184.

Formula: As2 Ca In2

Cell parameters:

  • a = 4.1482(6) Å
  • b = 4.1482 Å
  • c = 17.726(4) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: As2 In2 (As In)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 16, 21, 27, 33, 39, 45, 51, 57
  • 4, 9, 15, 21, 27, 33, 39, 45, 51, 57
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: As2 In2 (As In)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 16, 21, 27, 33, 39, 45, 51, 57
  • 4, 9, 15, 21, 27, 33, 39, 45, 51, 57
span 1 {1 1 1}