Structure 4000818

4000817 << 4000818 >> 4000819
Original COD entry Download CIF Download DOT

Citation: Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G. (2011). Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors. Chemistry of Materials, 23, pp. 4375-.

Formula: Hg3 Se4 Tl2

Chemical name: ?

Cell parameters:

  • a = 11.977(2) Å
  • b = 6.9264(14) Å
  • c = 13.203(3) Å
  • α = 90.00°
  • β = 116.36(3)°
  • γ = 90.00°

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: Hg12 Se16 Tl8 (Hg3 Se4 Tl2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 24, 47, 74, 124, 166, 209, 291, 338
  • 3, 12, 28, 56, 81, 130, 179, 224, 295, 371
  • 4, 10, 30, 56, 86, 130, 186, 224, 308, 364
  • 4, 14, 29, 55, 95, 133, 176, 248, 286, 369
  • 6, 15, 32, 61, 94, 131, 184, 233, 304, 368
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