Structure 4514922

4514825 << 4514922 >> 4514923
Original COD entry Download CIF Download DOT

Citation: Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu; Wang, Feifan; Pan, Dongxu; Aristov, Michael M.; Guzei, Ilia A.; Pan, Anlian; Zhu, Xiaoyang; Jin, Song (2019). Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton-Phonon Interaction.. ACS central science, 5, pp. 1377-1386.

Formula: C H6 I3 N3 Pb

Cell parameters:

  • a = 4.5694(12) Å
  • b = 11.748(3) Å
  • c = 19.504(4) Å
  • α = 90°
  • β = 94.147(14)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 4, entity 5 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: I3 Pb (I3 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: I3 Pb (I3 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: I3 Pb (I3 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: I3 Pb (I3 Pb)

Multiplicity: 1

span 1 {1 1 1}