Structure 1556747

1556735 << 1556747 >> 1556748
Original COD entry Download CIF Download DOT

Citation: Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. (2017). Crystal structure across the \b to \a phase transition in thermoelectric Cu2-x Se.. IUCrJ, 4, pp. 476-485.

Formula: Cu1.95 Se

Cell parameters:

  • a = 4.0922(10) Å
  • b = 4.0922(10) Å
  • c = 20.459(9) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: Cu30 Se6 (Cu5 Se)

Multiplicity: 1

Coordination sequences:

  • 4, 43, 80, 184, 336, 465, 585, 861, 1165, 1367
  • 7, 55, 124, 193, 286, 525, 721, 910, 1110, 1540
  • 15, 55, 103, 228, 377, 518, 647, 960, 1171, 1436
  • 16, 45, 118, 211, 346, 482, 718, 903, 1186, 1411
span 1 {1 1 1}