Structure 9016891

9016890 << 9016891 >> 9016892
Original COD entry Download CIF Download DOT

Citation: Liles, D. C.; de Villiers, J. P. R. (2012). Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 120 K. American Mineralogist, 97, pp. 257-261.

Formula: Fe4.509 S5

Cell parameters:

  • a = 6.8673 Å
  • b = 28.6536 Å
  • c = 6.8592 Å
  • α = 90°
  • β = 119.975°
  • 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: Fe40 S40 (Fe S)

Multiplicity: 1

Coordination sequences:

  • 6, 24, 56, 98, 156, 231, 326, 441, 557, 701
  • 6, 24, 56, 100, 160, 234, 324, 424, 548, 693
  • 6, 24, 56, 100, 162, 241, 335, 444, 568, 709
  • 6, 24, 56, 102, 166, 241, 330, 441, 567, 709
  • 6, 24, 56, 104, 172, 248, 336, 450, 588, 727
  • 6, 25, 58, 101, 161, 233, 320, 427, 554, 701
  • 6, 25, 58, 101, 161, 233, 322, 428, 553, 692
  • 6, 25, 58, 101, 161, 236, 328, 432, 551, 699
  • 6, 25, 58, 103, 163, 237, 329, 429, 553, 692
  • 6, 26, 62, 106, 168, 249, 347, 456, 583, 729
  • 6, 26, 62, 110, 176, 252, 346, 456, 590, 731
  • 8, 26, 57, 101, 162, 237, 332, 436, 564, 708
  • 8, 26, 57, 101, 163, 240, 337, 438, 569, 714
  • 8, 26, 58, 102, 162, 234, 327, 433, 555, 696
  • 8, 26, 58, 102, 162, 236, 329, 435, 562, 706
  • 8, 26, 58, 102, 163, 238, 329, 434, 560, 698
  • 8, 26, 58, 102, 163, 239, 334, 438, 567, 713
  • 8, 26, 58, 104, 168, 244, 338, 442, 568, 716
  • 8, 26, 59, 105, 168, 246, 332, 437, 570, 711
  • 8, 26, 60, 106, 168, 242, 332, 438, 564, 714
  • 9, 29, 62, 109, 171, 248, 340, 453, 579, 720
  • 9, 29, 62, 109, 172, 248, 346, 453, 580, 725
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