Structure 4001949

4001948 << 4001949 >> 4001966
Original COD entry Download CIF Download DOT

Citation: Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang (2013). New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response. Chemistry of Materials, 25, pp. 2427-.

Formula: Ba Cu0.25 Ga1.25 Se3

Cell parameters:

  • a = 13.5975(14) Å
  • b = 13.5975(14) Å
  • c = 6.5266(13) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: Cu4 Ga10 Se24 (Cu2 Ga5 Se12)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 7, 18, 20, 45, 49, 104, 94, 160
  • 2, 6, 7, 20, 25, 58, 60, 102, 101, 172
  • 3, 10, 12, 24, 26, 46, 59, 112, 130, 185
  • 4, 4, 12, 16, 44, 52, 92, 78, 140, 168
  • 4, 5, 14, 16, 34, 37, 82, 85, 138, 150
  • 6, 10, 20, 22, 34, 46, 80, 114, 158, 170
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