Structure 9003726

9003725 << 9003726 >> 9003727
Original COD entry Download CIF Download DOT

Citation: Ding, Y.; Veblen, D. R.; Prewitt, C. T. (2005). Possible Fe/Cu ordering schemes in the 2a superstructure of bornite (Cu5FeS4) Sample: 2a CuFe(anti) superstructure model, alternative 1 Note: Energetically preferred model. American Mineralogist, 90, pp. 1265-1269.

Formula: Cu2 Fe S2

Cell parameters:

  • a = 10.71 Å
  • b = 10.71 Å
  • c = 10.71 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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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Cu32 Fe16 S32 (Cu2 Fe S2)

Multiplicity: 1

Coordination sequences:

  • 4, 24, 54, 76, 152, 254, 292, 384, 586, 620
  • 6, 24, 47, 95, 146, 214, 296, 421, 514, 641
  • 7, 21, 46, 91, 145, 214, 316, 415, 499, 671
  • 7, 25, 54, 96, 158, 224, 315, 415, 535, 671
  • 8, 24, 42, 88, 148, 190, 328, 396, 482, 668
  • 10, 22, 52, 103, 147, 228, 328, 413, 535, 680
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