Structure 4001077

4001076 << 4001077 >> 4001083
Original COD entry Download CIF Download DOT

Citation: Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv (2009). Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships. Chemistry of Materials, 21, pp. 5335-.

Formula: O5 Pb3 Se

Chemical name: ?

Cell parameters:

  • a = 10.5211(13) Å
  • b = 10.7151(13) Å
  • c = 5.7452(7) 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 2

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

Dimensionality: 2

Formula: O10 Pb6 Se2 (O5 Pb3 Se)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 10, 16, 20, 24, 24, 38
  • 2, 4, 6, 10, 16, 21, 22, 31, 26, 38
  • 3, 2, 4, 10, 16, 20, 24, 24, 38, 28
  • 3, 6, 10, 12, 17, 18, 28, 24, 31, 30
  • 4, 7, 10, 14, 14, 23, 20, 28, 28, 35
  • 4, 8, 10, 12, 20, 16, 24, 24, 32, 32
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: O10 Pb6 Se2 (O5 Pb3 Se)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 10, 16, 20, 24, 24, 38
  • 2, 4, 6, 10, 16, 21, 22, 31, 26, 38
  • 3, 2, 4, 10, 16, 20, 24, 24, 38, 28
  • 3, 6, 10, 12, 17, 18, 28, 24, 31, 30
  • 4, 7, 10, 14, 14, 23, 20, 28, 28, 35
  • 4, 8, 10, 12, 20, 16, 24, 24, 32, 32
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