Structure 9009886

9009885 << 9009886 >> 9009887
Original COD entry Download CIF Download DOT

Citation: Abrahams, S. C.; Bernstein, J. L. (1973). Piezoelectric nonlinear optic CuGaS2 and CuInS2 crystal structure: Sublattice distortion in AIBIIIC2VI and AIIBIVC2V type chalcopyrites. Journal of Chemical Physics, 59, pp. 5415-5420.

Formula: Cu Ga S2

Cell parameters:

  • a = 5.34741 Å
  • b = 5.34741 Å
  • c = 10.47429 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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 Ga4 S8 (Cu Ga S2)

Multiplicity: 1

RCSR Symbol: dia

Coordination sequences:

  • 4, 12, 24, 42, 64, 92, 124, 162, 204, 252
span 1 {1 1 1}