Structure 1529638

1529637 << 1529638 >> 1529639
Original COD entry Download CIF Download DOT

Citation: Blandeau, L.; Ouvrard, G.; Rouxel, J.; Brec, R.; Calage, Y. (1987). Transition-metal dichalcogenides from disintercalation processes. Crystal structure determination and Moessbauer study of Li2 Fe S2 and its disintercalates Lix Fe S2 (0.2< x< 2). Journal of Physics C, 20, pp. 4271-4281.

Formula: Fe1.17 Li1.8 S2

Chemical name: Li1.8 Fe1.17 S2

Cell parameters:

  • a = 3.908 Å
  • b = 3.908 Å
  • c = 6.279 Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: Fe8 Li9 S8 (Fe8 Li9 S8)

Multiplicity: 1

Coordination sequences:

  • 6, 52, 166, 326, 510, 905, 1191, 1564, 1904, 2855
  • 9, 69, 189, 375, 623, 909, 1263, 1665, 2201, 2643
  • 10, 72, 164, 363, 623, 901, 1193, 1853, 2123, 2651
  • 10, 76, 184, 355, 681, 934, 1222, 1597, 2319, 2680
  • 13, 83, 196, 425, 652, 965, 1234, 1955, 2104, 2735
  • 16, 75, 188, 401, 622, 935, 1243, 1910, 2080, 2697
  • 16, 77, 223, 401, 607, 1058, 1279, 1739, 2068, 3122
  • 17, 73, 189, 383, 687, 857, 1304, 1764, 2411, 2351
  • 19, 73, 236, 374, 637, 976, 1484, 1502, 2242, 2818
  • 20, 108, 257, 383, 662, 1062, 1481, 1475, 2264, 2952
  • 23, 105, 247, 402, 656, 1113, 1303, 1686, 2132, 3201
  • 24, 91, 200, 439, 722, 837, 1319, 1848, 2454, 2289
  • 25, 88, 209, 445, 656, 928, 1258, 1990, 2106, 2672
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