Structure 2106769

2106768 << 2106769 >> 2106770
Original COD entry Download CIF Download DOT

Citation: Milman, V. (2002). Klockmannite, Cu Se: structure, properties and phase stability from ab initio modelling. Acta Crystallographica B (39,1983-), 58, pp. 437-447.

Formula: Cu Se

Cell parameters:

  • a = 3.706 Å
  • b = 3.706 Å
  • c = 12.046 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: Cu6 Se6 (Cu Se)

Multiplicity: 1

Coordination sequences:

  • 11, 45, 98, 189, 299, 428, 575, 741, 932, 1161
  • 13, 46, 107, 187, 295, 425, 574, 745, 944, 1165
  • 13, 50, 108, 188, 292, 422, 574, 749, 948, 1169
  • 15, 47, 104, 191, 297, 422, 573, 749, 944, 1169
span 1 {1 1 1}