Structure 4000782

4000781 << 4000782 >> 4000783
Original COD entry Download CIF Download DOT

Citation: Johnsen, Simon; Liu, Zhifu; Peters, John A.; Song, Jung-Hwan; Peter, Sebastian C.; Malliakas, Christos D.; Cho, Nam Ki; Jin, Hosub; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G. (2011). Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2for Radiation Detectors. Chemistry of Materials, 23, pp. 3120-.

Formula: Ga Se2 Tl

Chemical name: Thallium Gallium Selenide

Cell parameters:

  • a = 10.779(2) Å
  • b = 10.776(1) Å
  • c = 15.663(5) Å
  • α = 90.°
  • β = 99.993(6)°
  • γ = 90.°

List type: interleaving

List: 2D

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 2

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

Dimensionality: 2

Formula: Ga8 Se16 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Ga8 Se16 (Ga Se2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 4, 9, 8, 18, 12, 29, 18, 36
  • 2, 6, 4, 9, 8, 18, 12, 30, 20, 38
  • 2, 6, 6, 12, 6, 18, 18, 34, 14, 38
  • 4, 4, 9, 6, 15, 12, 27, 16, 35, 20
span 1 {1 1 1}