Structure 4127752

4127751 << 4127752 >> 4127753
Original COD entry Download CIF Download DOT

Citation: Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua (2019). High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.. Journal of the American Chemical Society, 141, pp. 12470-12474.

Formula: C12 H40 I10 N4 Pb3

Cell parameters:

  • a = 9.0291(9) Å
  • b = 8.9825(9) Å
  • c = 52.666(6) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 16, entity 17 of 6

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

Dimensionality: 2

Formula: I8 Pb2 (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 17, entity 18 of 6

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

Dimensionality: 2

Formula: I8 Pb2 (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 18, entity 19 of 6

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

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}

CIF datablock 19, entity 20 of 6

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

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}

CIF datablock 20, entity 21 of 6

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

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}

CIF datablock 21, entity 22 of 6

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

Dimensionality: 2

Formula: I6 Pb2 (I3 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 4, 16, 8, 28, 12, 40, 16, 52
  • 2, 8, 6, 22, 10, 34, 14, 46, 18, 58
  • 5, 4, 16, 8, 28, 12, 40, 16, 52, 20
span 1 {1 1 1}