Structure 4003376

4003373 << 4003376 >> 4003378
Original COD entry Download CIF Download DOT

Citation: Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. (2018). Solution Processing of Methylammonium Lead Iodide Perovskite from \g-Butyrolactone: Crystallization Mediated by Solvation Equilibrium. Chemistry of Materials, 30, pp. 5237-.

Formula: C6 H18 I8 N2 O2 Pb3

Cell parameters:

  • a = 21.822(4) Å
  • b = 4.5979(9) Å
  • c = 16.653(3) Å
  • α = 90°
  • β = 101.80(3)°
  • 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 0, entity 1 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: C8 H11 O4 (C8 H11 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: C8 H11 O4 (C8 H11 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: C8 H11 O4 (C8 H11 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: C8 H11 O4 (C8 H11 O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 8, entity 9 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Pb (I2 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}

CIF datablock 11, entity 12 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Pb (I2 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}

CIF datablock 12, entity 13 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Pb (I2 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}

CIF datablock 13, entity 14 of 10

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Pb (I2 Pb)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}