Structure 1530628

1530626 << 1530628 >> 1530629
Original COD entry Download CIF Download DOT

Citation: Quint, R.; Boller, H. (1987). On the crystal chemistry of hollandite-like phases with Tl V5 S8 structure: The crystal structures of Tlx Ti5 S8, Tlx V5 S8 and Tl Cr5 S8. Materials Research Bulletin, 22, pp. 1499-1504.

Formula: S8 Ti5 Tl0.97

Chemical name: Tl.97 Ti5 S8

Cell parameters:

  • a = 17.859 Å
  • b = 3.433 Å
  • c = 8.804 Å
  • α = 90°
  • β = 104.26°
  • γ = 90°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

span 1 {1 1 1}
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Molecules

CIF datablock 0, entity 1 of 3

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: S16 Ti10 (S8 Ti5)

Multiplicity: 1

Coordination sequences:

  • 3, 14, 24, 59, 74, 129, 158, 226, 290, 381
  • 3, 17, 30, 51, 70, 126, 169, 247, 240, 351
  • 4, 17, 25, 60, 79, 131, 175, 221, 305, 369
  • 5, 21, 30, 58, 77, 133, 188, 254, 287, 328
  • 6, 10, 34, 46, 94, 120, 164, 230, 306, 390
  • 7, 15, 39, 50, 93, 122, 200, 232, 294, 361
  • 9, 20, 37, 54, 92, 139, 204, 226, 279, 374
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Tl (Tl)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: Tl (Tl)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}