Structure 1543666

1543665 << 1543666 >> 1543667
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: C7 Fe125

Cell parameters:

  • a = 18.48720 Å
  • b = 18.48720 Å
  • c = 18.48720 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C28 Fe500 (C7 Fe125)

Coordination sequences:

  • 6, 33, 82, 149, 238, 365, 478, 641, 802, 1018
  • 6, 38, 78, 144, 254, 348, 510, 614, 774, 1086
  • 12, 42, 98, 162, 282, 362, 522, 674, 836, 1122
  • 12, 42, 101, 168, 265, 374, 516, 705, 836, 1053
  • 12, 43, 97, 172, 261, 383, 514, 678, 868, 1034
  • 12, 44, 94, 174, 262, 380, 516, 668, 874, 1048
  • 12, 44, 96, 170, 268, 370, 528, 676, 850, 1070
  • 12, 44, 96, 173, 261, 378, 524, 676, 863, 1039
  • 12, 46, 95, 168, 264, 395, 513, 660, 866, 1041
  • 13, 42, 101, 162, 274, 378, 505, 702, 817, 1102
  • 13, 44, 96, 168, 268, 384, 516, 674, 845, 1072
  • 14, 46, 93, 166, 272, 390, 521, 650, 842, 1098
span 1 {1 1 1}