Structure 1001595

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Original COD entry Download CIF Download DOT

Citation: Rouillon, T; Caignaert, V; Hervieu, M; Michel, C; Groult, D; Raveau, B (1992). PbBaSrYCu~3~O~7~: a "0223" structure, intergrowth of single rock salt layers and triple oxygen-deficient perovskite layers; X-ray, neutron diffraction, and electron microscopy study. Journal of Solid State Chemistry, 97, pp. 56-64.

Formula: Ba Cu3 O7.01 Pb Sr Y

Chemical name: Lead barium strontium yttrium copper oxide (1/1/1/1/3/7.01)

Cell parameters:

  • a = 3.8436(1) Å
  • b = 3.8436(1) Å
  • c = 27.42599(100) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Cu6 O22 Pb2 Y2 (Cu3 O11 Pb Y)

Multiplicity: 1

Coordination sequences:

  • 2, 18, 85, 133, 265, 380, 576, 706, 1045, 1233
  • 2, 22, 73, 153, 233, 408, 532, 766, 1021, 1265
  • 4, 39, 82, 148, 272, 366, 531, 770, 985, 1194
  • 4, 39, 82, 154, 256, 376, 531, 770, 985, 1204
  • 6, 21, 37, 94, 188, 316, 434, 648, 811, 1081
  • 6, 58, 106, 180, 312, 432, 602, 840, 1048, 1298
  • 9, 33, 46, 154, 241, 400, 521, 765, 906, 1262
  • 11, 54, 113, 196, 292, 457, 649, 864, 1085, 1350
  • 11, 54, 117, 180, 304, 457, 649, 864, 1093, 1350
  • 13, 21, 66, 126, 277, 352, 573, 713, 974, 1186
  • 24, 64, 112, 218, 330, 442, 660, 898, 1066, 1364
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