Structure 1540082

1540077 << 1540082 >> 1540083
Original COD entry Download CIF Download DOT

Citation: Hewat, A.W.; Hewat, E.A.jr.; Brynestad, J.; Specht, E.D.; Mook, H.A. (1988). Structure and superstructure of the superconductor Tl2 Ca Ba2 Cu2 O8 by neutron and electron diffraction. Physica C (Amsterdam), 152, pp. 438-444.

Formula: Ba1.96 Ca0.93 Cu1.96 O8.17 Tl2

Chemical name: Tl2 Ca0.93 Ba1.96 Cu1.96 O8.17

Cell parameters:

  • a = 3.8558 Å
  • b = 3.8558 Å
  • c = 29.2596 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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 4

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

Dimensionality: 2

Formula: O10 Tl2 (O5 Tl)

Multiplicity: 1

Coordination sequences:

  • 1, 12, 16, 52, 48, 80, 84, 112, 112, 148
  • 6, 28, 32, 66, 66, 96, 98, 130, 128, 162
  • 13, 16, 52, 48, 80, 84, 112, 112, 148, 144
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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, 12, 16, 52, 48, 80, 84, 112, 112, 148
  • 6, 28, 32, 66, 66, 96, 98, 130, 128, 162
  • 13, 16, 52, 48, 80, 84, 112, 112, 148, 144
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: Ca Cu2 O4 Tl (Ca Cu2 O4 Tl)

Multiplicity: 1

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CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: Ca Cu2 O4 Tl (Ca Cu2 O4 Tl)

Multiplicity: 1

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