Structure 4331392

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Citation: Hanko, J.; Gourdon, O.; Whangbo Myunghwan; Evain, M.; Petricek, V.; Kanatzidis, M.G.; Boucher, F. (2000). A unique distortion in K1/3 Ba 2/3 Ag Te2: X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure. Inorganic Chemistry, 39, pp. 1398-1409.

Formula: Ag Ba0.655 K0.345 Te2

Chemical name: (K0.345 Ba0.655) Ag Te2

Cell parameters:

  • a = 4.6441 Å
  • b = 4.6292 Å
  • c = 23.765 Å
  • α = 90°
  • β = 101.28°
  • γ = 90°

List type: interleaving

List: 2D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Ag2 Te2 (Ag Te)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
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CIF datablock 1, entity 2 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Ag2 Te2 (Ag Te)

Multiplicity: 1

Coordination sequences:

  • 4, 16, 24, 32, 40, 48, 56, 64, 72, 80
  • 8, 16, 24, 32, 40, 48, 56, 64, 72, 80
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CIF datablock 2, entity 3 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Te3 (Te)

Multiplicity: 1

RCSR Symbol: bex

Coordination sequences:

  • 3, 7, 10, 13, 17, 20, 23, 27, 30, 33
  • 4, 6, 10, 14, 16, 20, 24, 26, 30, 34
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CIF datablock 3, entity 4 of 4

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: Te3 (Te)

Multiplicity: 1

RCSR Symbol: bex

Coordination sequences:

  • 3, 7, 10, 13, 17, 20, 23, 27, 30, 33
  • 4, 6, 10, 14, 16, 20, 24, 26, 30, 34
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