Structure 4134531

4134530 << 4134531 >> 4134532
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 Te

Cell parameters:

  • a = 10.005(4) Å
  • b = 10.007(4) Å
  • c = 10.196(4) Å
  • α = 90°
  • β = 90°
  • γ = 89.991(8)°

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 Te4 (In8 Ir2 Te)

Multiplicity: 1

Coordination sequences:

  • 4, 24, 62, 128, 206, 322, 450, 606, 760, 994
  • 4, 26, 63, 134, 213, 304, 445, 624, 795, 976
  • 4, 28, 70, 136, 209, 329, 479, 631, 785, 1020
  • 4, 30, 66, 122, 214, 327, 482, 603, 789, 1014
  • 6, 25, 66, 134, 221, 323, 459, 639, 802, 1003
  • 7, 24, 64, 126, 226, 320, 452, 595, 805, 991
  • 7, 26, 71, 140, 217, 329, 486, 629, 795, 979
  • 7, 29, 71, 130, 229, 331, 475, 627, 807, 1023
  • 8, 26, 69, 133, 209, 316, 488, 612, 796, 991
  • 8, 27, 66, 146, 206, 319, 484, 622, 825, 983
  • 8, 31, 72, 144, 243, 362, 484, 649, 846, 1032
  • 8, 32, 69, 132, 224, 345, 469, 623, 815, 1019
  • 8, 32, 74, 138, 215, 335, 481, 646, 811, 1010
  • 8, 33, 68, 127, 219, 345, 457, 620, 826, 1041
  • 8, 33, 77, 136, 232, 339, 503, 632, 862, 1021
  • 8, 33, 79, 149, 215, 338, 498, 659, 817, 989
  • 8, 34, 68, 127, 228, 343, 458, 626, 820, 1022
  • 9, 30, 71, 138, 255, 335, 492, 632, 865, 1006
  • 9, 30, 74, 126, 240, 332, 476, 613, 826, 1000
  • 9, 31, 80, 147, 232, 354, 501, 664, 829, 1049
  • 9, 31, 81, 145, 230, 349, 510, 652, 820, 1046
  • 10, 31, 72, 147, 239, 356, 485, 644, 852, 1024
  • 10, 32, 76, 144, 236, 356, 478, 679, 840, 1038
  • 10, 32, 76, 144, 240, 350, 494, 646, 844, 1054
  • 10, 33, 80, 149, 232, 359, 496, 654, 826, 1048
  • 10, 33, 81, 145, 230, 355, 500, 651, 807, 1036
  • 10, 34, 76, 139, 242, 358, 481, 653, 839, 1035
  • 11, 31, 72, 142, 248, 358, 472, 625, 889, 1015
  • 11, 33, 74, 151, 245, 369, 484, 646, 860, 1034
  • 11, 35, 75, 154, 241, 376, 491, 668, 857, 1066
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