Structure 1008594

1008593 << 1008594 >> 1008595
Original COD entry Download CIF Download DOT

Citation: Opagiste, C; Couach, M; Khoder, A F; Abraham, R; Jondo, T K; Jorda, J L; Cohen-Adad, M T; Junod, A; Triscone, G; Muller, J (1993). A new elaboration process of the superconducting Tl~2~Ba~2~CuO~6~ phase with T~c~=90K. Journal of Alloys Compd., 195, pp. 47-52.

Formula: Ba2 Cu1.06 O6 Tl1.94

Chemical name: Thallium barium copper oxide (1.9/2/1.1/6)

Cell parameters:

  • a = 3.8714(5) Å
  • b = 3.8714(5) Å
  • c = 23.269(7) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

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

Dimensionality: 2

Formula: Cu16 O10 Tl16 (Cu8 O5 Tl8)

Multiplicity: 1

Coordination sequences:

  • 16, 52, 136, 220, 296, 336, 440, 524, 600, 600
  • 36, 93, 176, 254, 339, 389, 470, 548, 643, 673
  • 37, 106, 191, 271, 329, 391, 495, 575, 613, 675
  • 43, 117, 196, 272, 345, 420, 491, 566, 639, 714
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Cu16 O10 Tl16 (Cu8 O5 Tl8)

Multiplicity: 1

Coordination sequences:

  • 16, 52, 136, 220, 296, 336, 440, 524, 600, 600
  • 36, 93, 176, 254, 339, 389, 470, 548, 643, 673
  • 37, 106, 191, 271, 329, 391, 495, 575, 613, 675
  • 43, 117, 196, 272, 345, 420, 491, 566, 639, 714
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Cu O2 (Cu O2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 10, 24, 14, 32, 18, 40
  • 4, 4, 12, 8, 20, 12, 28, 16, 36, 20
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Cu O2 (Cu O2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 10, 24, 14, 32, 18, 40
  • 4, 4, 12, 8, 20, 12, 28, 16, 36, 20
span 1 {1 1 1}