Structure 1541087

1541086 << 1541087 >> 1541088
Original COD entry Download CIF Download DOT

Citation: Parise, J.B.; Torardi, C.C.; Subramanian, M.A.; Gopalakrishnan, J.; Sleight, A.W.; Prince, E. (1989). Superconducting Tl2 Ba2 Cu O6+d: A high resolution neutron powder and single crystal x-ray diffraction investigation. Physica C (Amsterdam), 159, pp. 239-244.

Formula: Ba2 Cu O6.1 Tl2

Chemical name: Tl2 Ba2 Cu O6.1

Cell parameters:

  • a = 5.4604 Å
  • b = 5.4848 Å
  • c = 23.2038 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: O16 Tl8 (O2 Tl)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 24, 44, 52, 86, 76, 116, 112, 154
  • 5, 15, 28, 55, 55, 94, 84, 125, 113, 166
  • 8, 28, 38, 58, 66, 104, 90, 130, 126, 172
  • 11, 21, 45, 52, 82, 75, 119, 108, 152, 133
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: O16 Tl8 (O2 Tl)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 24, 44, 52, 86, 76, 116, 112, 154
  • 5, 15, 28, 55, 55, 94, 84, 125, 113, 166
  • 8, 28, 38, 58, 66, 104, 90, 130, 126, 172
  • 11, 21, 45, 52, 82, 75, 119, 108, 152, 133
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, 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: Cu2 O4 (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
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