Structure 4129214

4129210 << 4129214 >> 4129239
Original COD entry Download CIF Download DOT

Citation: Khoury, Jason F.; Rettie, Alexander J. E.; Khan, Mojammel A.; Ghimire, Nirmal J.; Robredo, I\~nigo; Pfluger, Jonathan E.; Pal, Koushik; Wolverton, Christopher; Bergara, Aitor; Jiang, Jidong Samuel; Schoop, Leslie M.; Vergniory, Maia G.; Mitchell, J. F.; Chung, Duck Young; Kanatzidis, Mercouri G. (2019). A new three-dimensional subsulfide Ir2In8S with Dirac semimetal behavior.. Journal of the American Chemical Society, , pp. -.

Formula: In8 Ir2 S

Cell parameters:

  • a = 9.8937(16) Å
  • b = 9.8937(16) Å
  • c = 10.0991(17) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: In36 Ir8 S4 (In9 Ir2 S)

Multiplicity: 1

Coordination sequences:

  • 4, 28, 76, 142, 244, 370, 500, 696, 894, 1102
  • 9, 30, 84, 149, 264, 387, 539, 709, 935, 1116
  • 9, 36, 86, 171, 272, 395, 554, 726, 941, 1204
  • 9, 38, 82, 157, 251, 394, 526, 717, 905, 1145
  • 10, 37, 90, 168, 272, 402, 557, 742, 939, 1189
  • 10, 39, 80, 173, 258, 412, 564, 745, 923, 1164
  • 13, 36, 90, 171, 278, 401, 562, 715, 946, 1171
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