Structure 4134533

4134532 << 4134533 >> 4134534
Original COD entry Download CIF Download DOT

Citation: Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, I\~nigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G. (2020). The Subchalcogenides Ir2In8Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.. Journal of the American Chemical Society, 142, pp. 6312-6323.

Formula: In8 Ir2 S

Cell parameters:

  • a = 9.9200(14) Å
  • b = 9.9200(14) Å
  • c = 10.140(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: In32 Ir8 S4 (In8 Ir2 S)

Multiplicity: 1

Coordination sequences:

  • 4, 28, 68, 142, 222, 336, 504, 646, 818, 1052
  • 8, 31, 74, 153, 242, 374, 506, 687, 855, 1094
  • 8, 33, 79, 148, 230, 360, 521, 673, 876, 1062
  • 8, 34, 75, 141, 236, 362, 500, 671, 845, 1085
  • 9, 32, 76, 145, 258, 369, 502, 662, 891, 1050
  • 10, 34, 83, 157, 253, 382, 526, 697, 885, 1113
  • 11, 34, 84, 151, 258, 381, 522, 673, 882, 1065
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