Structure 2106703

2106702 << 2106703 >> 2106706
Original COD entry Download CIF Download DOT

Citation: Koto, K.; Morimoto, N.; Gyobu, A. (1975). The superstructure of the intermediate pyrrhotite. I. Partially disordered distribution of metal vacancy in the 6C type, Fe~11~S~12~. Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 31, pp. 2759-2764.

Formula: Fe11 S12

Cell parameters:

  • a = 6.895 Å
  • b = 11.9536 Å
  • c = 34.518 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: Fe96 S96 (Fe S)

Multiplicity: 1

Coordination sequences:

  • 3, 9, 15, 28, 45, 79, 137, 189, 221, 290
  • 3, 10, 18, 25, 47, 78, 142, 191, 225, 295
  • 3, 10, 20, 31, 65, 101, 142, 180, 272, 333
  • 3, 11, 21, 40, 72, 113, 141, 197, 275, 349
  • 4, 11, 21, 31, 51, 92, 152, 202, 251, 314
  • 4, 14, 23, 37, 69, 111, 171, 203, 277, 371
  • 4, 14, 26, 38, 67, 109, 174, 206, 274, 350
  • 4, 15, 29, 50, 76, 123, 172, 232, 283, 363
  • 5, 14, 26, 35, 60, 110, 172, 224, 254, 348
  • 5, 14, 29, 50, 66, 122, 179, 224, 271, 376
  • 5, 16, 21, 46, 74, 133, 161, 214, 288, 380
  • 5, 16, 27, 39, 68, 111, 172, 231, 268, 341
  • 5, 17, 38, 53, 77, 130, 199, 231, 271, 377
  • 5, 18, 20, 46, 77, 128, 156, 219, 293, 380
  • 6, 15, 23, 34, 57, 107, 172, 217, 246, 345
  • 6, 15, 26, 47, 72, 123, 159, 230, 287, 361
  • 6, 16, 31, 54, 79, 128, 179, 233, 296, 371
  • 6, 18, 29, 50, 74, 125, 178, 240, 293, 363
  • 7, 11, 23, 35, 70, 108, 176, 206, 268, 352
  • 7, 14, 19, 36, 61, 108, 165, 205, 251, 354
  • 7, 14, 21, 36, 70, 117, 164, 202, 279, 367
  • 7, 14, 21, 38, 77, 117, 156, 203, 295, 371
  • 7, 14, 30, 50, 97, 125, 157, 233, 320, 364
  • 7, 16, 25, 47, 89, 122, 162, 216, 320, 355
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