Structure 1543665

1543664 << 1543665 >> 1543666
Original COD entry Download CIF Download DOT

Citation: Oila, Adrian; Bull, Steve (2009). Atomistic simulation of Fe-C austenite. Computational Materials Science, 45, pp. 235-239.

Formula: C Fe125

Cell parameters:

  • a = 18.46280 Å
  • b = 18.46280 Å
  • c = 18.46280 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C4 Fe500 (C Fe125)

Coordination sequences:

  • 6, 32, 78, 144, 230, 348, 462, 608, 774, 966
  • 12, 42, 92, 162, 258, 362, 492, 650, 812, 1026
  • 12, 42, 92, 164, 254, 364, 494, 646, 822, 1010
  • 12, 42, 92, 165, 253, 362, 498, 648, 821, 1005
  • 12, 42, 93, 162, 256, 362, 497, 646, 816, 1018
  • 12, 42, 93, 163, 254, 364, 496, 649, 817, 1008
  • 12, 42, 93, 164, 252, 365, 495, 648, 822, 1003
  • 12, 42, 94, 162, 254, 364, 494, 654, 812, 1012
  • 12, 43, 92, 162, 255, 368, 495, 642, 818, 1011
  • 12, 43, 92, 163, 254, 365, 498, 643, 818, 1012
  • 13, 42, 92, 162, 256, 370, 492, 642, 813, 1022
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