Structure 7222729

7222728 << 7222729 >> 7222731
Original COD entry Download CIF Download DOT

Citation: Klepp, K.O.; Harringer, N.A.; Kolb, A. (2002). K1.10 Zr2 Se6, Rb0.86 Zr2 Se6 and Cs0.80 Zr2 Se6. The first intercalation compounds of zirconium triselenide. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 57, pp. 1265-1269.

Formula: Cs0.8 Se6 Zr2

Chemical name: Cs0.8 (Zr2 Se6)

Cell parameters:

  • a = 3.747 Å
  • b = 24.102 Å
  • c = 5.332 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-2D

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

Dimensionality: 2

Formula: Se6 Zr2 (Se3 Zr)

Multiplicity: 1

Coordination sequences:

  • 4, 15, 23, 46, 52, 62, 70, 86, 90, 106
  • 4, 22, 22, 46, 50, 58, 74, 86, 86, 110
  • 8, 12, 36, 38, 50, 62, 74, 78, 98, 102
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: Se6 Zr2 (Se3 Zr)

Multiplicity: 1

Coordination sequences:

  • 4, 15, 23, 46, 52, 62, 70, 86, 90, 106
  • 4, 22, 22, 46, 50, 58, 74, 86, 86, 110
  • 8, 12, 36, 38, 50, 62, 74, 78, 98, 102
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: Cs2 (Cs)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: Cs2 (Cs)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 2, 2, 2, 2, 2, 2, 2, 2
span 1 {1 1 1}