Structure 4117956

4117949 << 4117956 >> 4117957
Original COD entry Download CIF Download DOT

Citation: In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis (2012). CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions. Journal of the American Chemical Society, 134, pp. 8579-8587.

Formula: Cs I3 Sn

Chemical name: ?

Cell parameters:

  • a = 10.3495(11) Å
  • b = 4.7632(5) Å
  • c = 17.684(2) 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}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Sn (I2 Sn)

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 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Sn (I2 Sn)

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 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Sn (I2 Sn)

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 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: I2 Sn (I2 Sn)

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}