Structure 7707645

7707644 << 7707645 >> 7707646
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 Ba In2

Cell parameters:

  • a = 10.2746(11) Å
  • b = 4.3005(5) Å
  • c = 13.3317(14) Å
  • α = 90°
  • β = 95.569(2)°
  • γ = 90°

List type: noninterleaving

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 1

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

Dimensionality: 2

Formula: As8 In8 (As In)

Coordination sequences:

  • 3, 9, 13, 20, 25, 32, 37, 39, 48, 49
  • 3, 9, 14, 21, 26, 33, 38, 40, 48, 48
  • 3, 9, 15, 18, 26, 29, 36, 42, 48, 54
  • 3, 9, 15, 20, 25, 28, 36, 42, 48, 54
  • 4, 9, 13, 20, 25, 32, 34, 42, 48, 54
  • 4, 9, 14, 19, 26, 31, 34, 42, 48, 54
  • 4, 9, 15, 21, 22, 30, 36, 42, 48, 54
  • 4, 9, 15, 21, 27, 33, 39, 40, 40, 48
span 1 {1 1 1}