Structure 7237658

7237652 << 7237658 >> 7237659
Original COD entry Download CIF Download DOT

Citation: Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi (2019). Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance. Journal of Materials Chemistry A, 7, pp. 16947-.

Formula: C6 H24 I8 N2 O2 Pb3 S2

Cell parameters:

  • a = 4.5887(9) Å
  • b = 27.262(5) Å
  • c = 26.789(5) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 12, entity 13 of 12

Basis: (1;0;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 13, entity 14 of 12

Basis: (1;0;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 14, entity 15 of 12

Basis: (1;0;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 15, entity 16 of 12

Basis: (1;0;0)

Dimensionality: 1

Formula: I4 Pb (I4 Pb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 16, entity 17 of 12

Basis: (1;0;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 17, entity 18 of 12

Basis: (1;0;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 18, entity 19 of 12

Basis: (1;0;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 19, entity 20 of 12

Basis: (1;0;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 20, entity 21 of 12

Basis: (1;0;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 21, entity 22 of 12

Basis: (1;0;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 22, entity 23 of 12

Basis: (1;0;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 23, entity 24 of 12

Basis: (1;0;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}