Structure 4128985

4128984 << 4128985 >> 4128986
Original COD entry Download CIF Download DOT

Citation: Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti (2019). Pressure-Induced Superconductivity and Flattened Se6 Rings in the Wide Band Gap Semiconductor Cu2I2Se6.. Journal of the American Chemical Society, 141, pp. 15174-15182.

Formula: Cu2 I2 Se6

Cell parameters:

  • a = 12.8949(6) Å
  • b = 12.8949(6) Å
  • c = 10.7489(15) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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: Cu24 I18 Se54 (Cu4 I3 Se9)

Multiplicity: 1

Coordination sequences:

  • 4, 15, 41, 76, 124, 190, 262, 366, 457, 621
  • 5, 19, 48, 87, 124, 199, 297, 395, 494, 625
  • 6, 15, 44, 83, 138, 190, 290, 371, 506, 591
  • 6, 18, 41, 81, 140, 215, 274, 410, 493, 626
  • 7, 19, 40, 86, 150, 209, 276, 401, 503, 622
  • 9, 21, 41, 87, 153, 212, 300, 348, 569, 633
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