Structure 1540938

1540937 << 1540938 >> 1540939
Original COD entry Download CIF Download DOT

Citation: Sequeira, A.; Iyer, R.M.; Rajagopal, H.; Gopalakrishnan, I.K.; Yakhmi, J.V.; Phatak, G.M.; Sastry, P.V.P.S.S. (1988). Evidence for K-substitution in the Tl-sites of superconducting Tl2 Ca Ba2 Cu2 Ox: Neutron diffraction studies. Physica C (Amsterdam), 156, pp. 599-603.

Formula: Ba2 Ca0.93 Cu2 O7.86 Tl1.81

Chemical name: Tl1.81 Ca0.93 Ba2 Cu2 O7.86

Cell parameters:

  • a = 3.852 Å
  • b = 3.852 Å
  • c = 29.21 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: O10 Tl2 (O5 Tl)

Multiplicity: 1

Coordination sequences:

  • 1, 16, 40, 64, 88, 112, 136, 160, 184, 208
  • 6, 33, 58, 82, 106, 130, 154, 178, 202, 226
  • 17, 40, 64, 88, 112, 136, 160, 184, 208, 232
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: O10 Tl2 (O5 Tl)

Multiplicity: 1

Coordination sequences:

  • 1, 16, 40, 64, 88, 112, 136, 160, 184, 208
  • 6, 33, 58, 82, 106, 130, 154, 178, 202, 226
  • 17, 40, 64, 88, 112, 136, 160, 184, 208, 232
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Cu2 O4 (Cu O2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 13, 22, 26, 34, 38, 46, 50, 58
  • 5, 8, 16, 20, 28, 32, 40, 44, 52, 56
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Cu2 O4 (Cu O2)

Multiplicity: 1

Coordination sequences:

  • 2, 8, 13, 22, 26, 34, 38, 46, 50, 58
  • 5, 8, 16, 20, 28, 32, 40, 44, 52, 56
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