Structure 4127236

4127235 << 4127236 >> 4127248
Original COD entry Download CIF Download DOT

Citation: Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua (2019). An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.. Journal of the American Chemical Society, 141, pp. 7693-7697.

Formula: C8 H32 Br10 N4 Pb3

Cell parameters:

  • a = 8.4247(3) Å
  • b = 46.305(3) Å
  • c = 8.4256(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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;0;1)

Dimensionality: 2

Formula: Br8 Pb2 (Br4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 17, entity 18 of 6

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

Dimensionality: 2

Formula: Br8 Pb2 (Br4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 18, entity 19 of 6

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

Dimensionality: 2

Formula: Br6 Pb2 (Br3 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;0;1)

Dimensionality: 2

Formula: Br6 Pb2 (Br3 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;0;1)

Dimensionality: 2

Formula: Br6 Pb2 (Br3 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;0;1)

Dimensionality: 2

Formula: Br6 Pb2 (Br3 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}