Structure 1501463

1501462 << 1501463 >> 1501464
Original COD entry Download CIF Download DOT

Citation: Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique (2011). Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system. Physical Review B, 83, pp. 184201-.

Formula: Fe7 Mo6

Cell parameters:

  • a = 4.7402 Å
  • b = 4.7402 Å
  • c = 26.0028 Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: Fe21 Mo18 (Fe7 Mo6)

Multiplicity: 1

Coordination sequences:

  • 12, 49, 109, 209, 338, 507, 696, 925, 1179, 1480
  • 12, 50, 114, 212, 374, 518, 716, 936, 1220, 1518
  • 14, 52, 124, 229, 352, 526, 721, 958, 1216, 1529
  • 15, 53, 121, 224, 367, 520, 722, 955, 1226, 1500
  • 16, 50, 121, 229, 361, 520, 718, 961, 1238, 1498
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