Structure 1526149

1526148 << 1526149 >> 1526150
Original COD entry Download CIF Download DOT

Citation: Noheda, B.; Gonzalo, J.A.; Cross, L.E.; Shirane, G.; Park, S.-E.; Guo, R.; Cox, D.E. (2000). Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of Pb Zr0.52 Ti0.48 O3. Physical Review, Serie 3. B - Condensed Matter (18,1978-), 61, pp. 8687-8695.

Formula: O3 Pb Ti0.48 Zr0.52

Chemical name: Pb ((Zr0.52 Ti0.48) O3)

Cell parameters:

  • a = 5.72204 Å
  • b = 5.70957 Å
  • c = 4.13651 Å
  • α = 90°
  • β = 90.498°
  • γ = 90°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: O6 Pb2 Ti2 Zr2 (O3 Pb Ti Zr)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 28, 84, 84, 192, 168, 344, 280, 540
  • 5, 15, 31, 74, 94, 167, 189, 300, 316, 473
  • 6, 22, 32, 90, 90, 196, 176, 346, 290, 540
  • 8, 14, 45, 58, 139, 128, 269, 226, 443, 352
  • 10, 16, 53, 58, 139, 128, 269, 226, 443, 352
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