Structure 4000817

4000815 << 4000817 >> 4000818
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 S4 Tl2

Chemical name: ?

Cell parameters:

  • a = 11.493(2) Å
  • b = 6.6953(13) Å
  • c = 12.937(3) Å
  • α = 90.00°
  • β = 114.98(3)°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;1 0;1;0)

Dimensionality: 2

Formula: Hg6 S8 Tl4 (Hg3 S4 Tl2)

Coordination sequences:

  • 2, 5, 10, 13, 17, 19, 23, 31, 30, 31
  • 2, 6, 6, 11, 13, 17, 26, 24, 27, 33
  • 2, 9, 9, 7, 16, 25, 24, 24, 28, 38
  • 5, 7, 8, 14, 17, 21, 25, 24, 32, 39
  • 6, 6, 8, 10, 16, 26, 22, 26, 30, 36
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CIF datablock 1, entity 2 of 2

Basis: (1;0;1 0;1;0)

Dimensionality: 2

Formula: Hg6 S8 Tl4 (Hg3 S4 Tl2)

Coordination sequences:

  • 2, 5, 10, 13, 17, 19, 23, 31, 30, 31
  • 2, 6, 6, 11, 13, 17, 26, 24, 27, 33
  • 2, 9, 9, 7, 16, 25, 24, 24, 28, 38
  • 5, 7, 8, 14, 17, 21, 25, 24, 32, 39
  • 6, 6, 8, 10, 16, 26, 22, 26, 30, 36
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