Structure 4002290

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Citation: Wang, Y.C.; DiSalvo, F.J. (2000). Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13. Chemistry of Materials (1,1989-), 12, pp. 1011-1017.

Formula: Ba3 Bi6.67 Se13

Cell parameters:

  • a = 17.22279 Å
  • b = 4.2729 Å
  • c = 18.4659 Å
  • α = 90°
  • β = 90.72°
  • 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 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Bi10 Se18 (Bi5 Se9)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Bi Se2 (Bi Se2)

Multiplicity: 1

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CIF datablock 2, entity 3 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Bi Se2 (Bi Se2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Bi Se2 (Bi Se2)

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 4, entity 5 of 5

Basis: (0;1;0)

Dimensionality: 1

Formula: Bi Se2 (Bi Se2)

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}