Structure 7240511

7240499 << 7240511 >> 7240537
Original COD entry Download CIF Download DOT

Citation: Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang (2020). Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response. CrystEngComm, , pp. -.

Formula: O5 Pb1.5 Sb5 Se8 Sr4

Cell parameters:

  • a = 18.8403(15) Å
  • b = 4.2335(3) Å
  • c = 15.3364(12) Å
  • α = 90°
  • β = 95.068(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 8

Basis: (0;1;0)

Dimensionality: 1

Formula: Pb Sb Se5 (Pb Sb Se5)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: Pb Sb Se5 (Pb Sb Se5)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: Pb Sb Se3 (Pb Sb Se3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}

CIF datablock 3, entity 4 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: Pb Sb Se3 (Pb Sb Se3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 4, 6, 4, 6, 4, 6
  • 2, 4, 5, 7, 4, 6, 4, 6, 4, 6
  • 3, 4, 6, 4, 6, 4, 6, 4, 6, 4
  • 3, 4, 7, 4, 6, 4, 6, 4, 6, 4
  • 3, 6, 4, 6, 4, 6, 4, 6, 4, 6
span 1 {1 1 1}

CIF datablock 4, entity 5 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: O3 Sb (O3 Sb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: O3 Sb (O3 Sb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: O3 Sb (O3 Sb)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: O3 Sb (O3 Sb)

Multiplicity: 1

span 1 {1 1 1}