Structure 4319605

4319575 << 4319605 >> 4319606
Original COD entry Download CIF Download DOT

Citation: Fu Qiang Huang; James A. Ibers (2001). Syntheses and Structures of the Infinite Chain Compounds Cs4Ti3Se13, Rb4Ti3S14, Cs4Ti3S14, Rb4Hf3S14, Rb4Zr3Se14, Cs4Zr3Se14, and Cs4Hf3Se14. Inorganic Chemistry, 40, pp. 2346-2351.

Formula: Cs4 Se13 Ti3

Chemical name: ?

Cell parameters:

  • a = 10.2524(6) Å
  • b = 32.4680(18) Å
  • c = 14.6747(8) Å
  • α = 90.00°
  • β = 100.0083(9)°
  • 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 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 5, 8, 5, 5, 9, 5, 8, 5
  • 2, 6, 7, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 6, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 9, 6, 5, 6, 6, 9, 6, 5
  • 2, 8, 7, 3, 10, 7, 6, 6, 3, 10
  • 2, 10, 4, 7, 5, 8, 8, 4, 7, 5
  • 2, 12, 7, 6, 6, 3, 10, 7, 6, 6
  • 3, 9, 4, 7, 5, 8, 8, 4, 7, 5
  • 3, 10, 5, 7, 8, 7, 7, 3, 7, 8
  • 3, 10, 6, 6, 9, 6, 5, 6, 6, 9
  • 3, 11, 7, 6, 6, 3, 10, 7, 6, 6
  • 4, 9, 6, 6, 9, 6, 5, 6, 6, 9
  • 7, 5, 8, 8, 4, 7, 5, 8, 8, 4
  • 8, 5, 8, 5, 5, 9, 5, 8, 5, 5
  • 8, 7, 3, 7, 8, 7, 7, 3, 7, 8
span 1 {1 1 1}

CIF datablock 3, entity 4 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 5, 8, 5, 5, 9, 5, 8, 5
  • 2, 6, 7, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 6, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 9, 6, 5, 6, 6, 9, 6, 5
  • 2, 8, 7, 3, 10, 7, 6, 6, 3, 10
  • 2, 10, 4, 7, 5, 8, 8, 4, 7, 5
  • 2, 12, 7, 6, 6, 3, 10, 7, 6, 6
  • 3, 9, 4, 7, 5, 8, 8, 4, 7, 5
  • 3, 10, 5, 7, 8, 7, 7, 3, 7, 8
  • 3, 10, 6, 6, 9, 6, 5, 6, 6, 9
  • 3, 11, 7, 6, 6, 3, 10, 7, 6, 6
  • 4, 9, 6, 6, 9, 6, 5, 6, 6, 9
  • 7, 5, 8, 8, 4, 7, 5, 8, 8, 4
  • 8, 5, 8, 5, 5, 9, 5, 8, 5, 5
  • 8, 7, 3, 7, 8, 7, 7, 3, 7, 8
span 1 {1 1 1}

CIF datablock 4, entity 5 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 5, 8, 5, 5, 9, 5, 8, 5
  • 2, 6, 7, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 6, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 9, 6, 5, 6, 6, 9, 6, 5
  • 2, 8, 7, 3, 10, 7, 6, 6, 3, 10
  • 2, 10, 4, 7, 5, 8, 8, 4, 7, 5
  • 2, 12, 7, 6, 6, 3, 10, 7, 6, 6
  • 3, 9, 4, 7, 5, 8, 8, 4, 7, 5
  • 3, 10, 5, 7, 8, 7, 7, 3, 7, 8
  • 3, 10, 6, 6, 9, 6, 5, 6, 6, 9
  • 3, 11, 7, 6, 6, 3, 10, 7, 6, 6
  • 4, 9, 6, 6, 9, 6, 5, 6, 6, 9
  • 7, 5, 8, 8, 4, 7, 5, 8, 8, 4
  • 8, 5, 8, 5, 5, 9, 5, 8, 5, 5
  • 8, 7, 3, 7, 8, 7, 7, 3, 7, 8
span 1 {1 1 1}

CIF datablock 5, entity 6 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 5, 8, 5, 5, 9, 5, 8, 5
  • 2, 6, 7, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 6, 9, 5, 8, 5, 5, 9, 5
  • 2, 7, 9, 6, 5, 6, 6, 9, 6, 5
  • 2, 8, 7, 3, 10, 7, 6, 6, 3, 10
  • 2, 10, 4, 7, 5, 8, 8, 4, 7, 5
  • 2, 12, 7, 6, 6, 3, 10, 7, 6, 6
  • 3, 9, 4, 7, 5, 8, 8, 4, 7, 5
  • 3, 10, 5, 7, 8, 7, 7, 3, 7, 8
  • 3, 10, 6, 6, 9, 6, 5, 6, 6, 9
  • 3, 11, 7, 6, 6, 3, 10, 7, 6, 6
  • 4, 9, 6, 6, 9, 6, 5, 6, 6, 9
  • 7, 5, 8, 8, 4, 7, 5, 8, 8, 4
  • 8, 5, 8, 5, 5, 9, 5, 8, 5, 5
  • 8, 7, 3, 7, 8, 7, 7, 3, 7, 8
span 1 {1 1 1}

CIF datablock 6, entity 7 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 6, 8, 5, 4, 5, 4, 6, 8
  • 2, 6, 6, 5, 4, 6, 8, 5, 4, 5
  • 2, 7, 5, 5, 4, 6, 8, 5, 4, 5
  • 2, 10, 4, 7, 5, 5, 3, 8, 4, 7
  • 3, 9, 4, 6, 2, 10, 6, 4, 4, 6
  • 3, 9, 4, 7, 5, 5, 3, 8, 4, 7
  • 4, 8, 4, 6, 2, 10, 6, 4, 4, 6
  • 6, 2, 10, 6, 4, 4, 6, 2, 10, 6
  • 7, 5, 5, 3, 8, 4, 7, 5, 5, 3
span 1 {1 1 1}

CIF datablock 7, entity 8 of 8

Basis: (1;0;0)

Dimensionality: 1

Formula: Se13 Ti3 (Se13 Ti3)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 6, 8, 5, 4, 5, 4, 6, 8
  • 2, 6, 6, 5, 4, 6, 8, 5, 4, 5
  • 2, 7, 5, 5, 4, 6, 8, 5, 4, 5
  • 2, 10, 4, 7, 5, 5, 3, 8, 4, 7
  • 3, 9, 4, 6, 2, 10, 6, 4, 4, 6
  • 3, 9, 4, 7, 5, 5, 3, 8, 4, 7
  • 4, 8, 4, 6, 2, 10, 6, 4, 4, 6
  • 6, 2, 10, 6, 4, 4, 6, 2, 10, 6
  • 7, 5, 5, 3, 8, 4, 7, 5, 5, 3
span 1 {1 1 1}