Structure 1562707

1562706 << 1562707 >> 1562708
Original COD entry Download CIF Download DOT

Citation: Mesbah, Adel; Leb\`egue, S\'ebastien; Klingsporn, Jordan M.; Stojko, Wojciech; Van Duyne, Richard P.; Ibers, James A. (2013). Synthesis, crystal structure, and optical properties of Ba2Cu2ThS5, and electronic structures of Ba2Cu2ThS5 and Ba2Cu2US5. Journal of Solid State Chemistry, 200, pp. 349-353.

Formula: Ba2 Cu2 S5 Th

Cell parameters:

  • a = 13.5616(8) Å
  • b = 4.1159(2) Å
  • c = 9.3548(6) Å
  • α = 90.00°
  • β = 115.891(4)°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: Cu2 S5 Th (Cu2 S5 Th)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 24, 20, 22, 40, 52, 40, 42, 68
  • 3, 13, 14, 20, 33, 37, 34, 44, 61, 61
  • 3, 15, 12, 18, 35, 39, 32, 42, 63, 63
  • 6, 13, 16, 23, 30, 37, 40, 47, 54, 61
  • 10, 10, 12, 26, 38, 30, 32, 54, 66, 50
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Cu2 S5 Th (Cu2 S5 Th)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 24, 20, 22, 40, 52, 40, 42, 68
  • 3, 13, 14, 20, 33, 37, 34, 44, 61, 61
  • 3, 15, 12, 18, 35, 39, 32, 42, 63, 63
  • 6, 13, 16, 23, 30, 37, 40, 47, 54, 61
  • 10, 10, 12, 26, 38, 30, 32, 54, 66, 50
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