Structure 1521526

1521525 << 1521526 >> 1521527
Original COD entry Download CIF Download DOT

Citation: Liu, H.-C.; Toraya, H. (1999). Ab initio structural study on Nb-doped Pb (Zr0.97 Ti0.03) O3 ceramic material by synchrotron X-ray diffraction. Japanese Journal of Applied Physics, Part 1, 38, pp. 104-107.

Formula: O3 Pb Ti0.03 Zr0.97

Chemical name: Pb (Zr0.97 Ti0.03) O3

Cell parameters:

  • a = 5.86295 Å
  • b = 11.74014 Å
  • c = 8.20686 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: O44 Pb8 Ti8 Zr8 (O11 Pb2 Ti2 Zr2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 7, 26, 54, 91, 130, 216, 309, 400
  • 2, 9, 21, 37, 69, 108, 187, 240, 344, 407
  • 2, 10, 23, 45, 85, 139, 211, 289, 396, 483
  • 2, 10, 26, 45, 84, 142, 202, 300, 389, 478
  • 4, 12, 30, 64, 106, 166, 208, 334, 356, 522
  • 4, 12, 34, 70, 101, 179, 219, 332, 381, 536
  • 4, 12, 34, 72, 104, 174, 210, 328, 386, 530
  • 5, 7, 26, 54, 91, 130, 216, 309, 400, 479
  • 5, 16, 31, 67, 94, 166, 200, 325, 371, 541
  • 6, 17, 35, 77, 111, 187, 240, 344, 407, 498
  • 7, 16, 45, 68, 135, 162, 269, 304, 450, 504
  • 7, 21, 35, 64, 116, 190, 240, 344, 407, 498
  • 8, 19, 44, 70, 130, 162, 269, 304, 450, 504
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