Structure 1543667

1543666 << 1543667 >> 1543733
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: C9 Fe125

Cell parameters:

  • a = 18.48730 Å
  • b = 18.48730 Å
  • c = 18.48730 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: C36 Fe500 (C9 Fe125)

Coordination sequences:

  • 6, 32, 78, 168, 230, 372, 470, 632, 894, 974
  • 6, 35, 81, 151, 245, 363, 499, 641, 807, 1048
  • 12, 43, 98, 177, 263, 383, 528, 693, 881, 1038
  • 12, 43, 101, 165, 280, 374, 522, 704, 839, 1116
  • 12, 44, 98, 174, 267, 381, 529, 693, 868, 1062
  • 12, 44, 100, 172, 264, 392, 520, 692, 874, 1046
  • 12, 45, 96, 175, 266, 385, 528, 679, 880, 1062
  • 12, 46, 97, 170, 268, 398, 521, 670, 880, 1058
  • 12, 50, 92, 162, 282, 410, 516, 650, 860, 1098
  • 13, 42, 96, 178, 264, 390, 512, 682, 893, 1058
  • 13, 44, 99, 170, 271, 385, 526, 691, 853, 1088
  • 14, 46, 94, 170, 274, 396, 526, 664, 858, 1102
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