Structure 1525677

1525676 << 1525677 >> 1525680
Original COD entry Download CIF Download DOT

Citation: Bernert, A.; Fulde, P.; Chatterji, T.; Thalmeier, P. (2001). Structure determination, valence and superexchange in the dimerized low temperature phase of alpha'-(Na V2 O5). The European Physical Journal B, 21, pp. 535-546.

Formula: Na O5 V2

Chemical name: Na (V2 O5)

Cell parameters:

  • a = 22.606 Å
  • b = 7.2219 Å
  • c = 19.01 Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 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;1;0)

Dimensionality: 2

Formula: O40 V16 (O5 V2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 16, 10, 29, 15, 41, 20, 54
  • 2, 8, 8, 22, 12, 36, 18, 46, 22, 62
  • 3, 10, 7, 23, 13, 34, 17, 49, 23, 58
  • 5, 5, 16, 10, 29, 15, 41, 20, 54, 25
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: O40 V16 (O5 V2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 16, 10, 29, 15, 41, 20, 54
  • 2, 8, 8, 22, 12, 36, 18, 46, 22, 62
  • 3, 10, 7, 23, 13, 34, 17, 49, 23, 58
  • 5, 5, 16, 10, 29, 15, 41, 20, 54, 25
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

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

Dimensionality: 2

Formula: O40 V16 (O5 V2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 16, 10, 29, 15, 41, 20, 54
  • 2, 8, 8, 22, 12, 36, 18, 46, 22, 62
  • 3, 10, 7, 23, 13, 34, 17, 49, 23, 58
  • 5, 5, 16, 10, 29, 15, 41, 20, 54, 25
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

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

Dimensionality: 2

Formula: O40 V16 (O5 V2)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 5, 16, 10, 29, 15, 41, 20, 54
  • 2, 8, 8, 22, 12, 36, 18, 46, 22, 62
  • 3, 10, 7, 23, 13, 34, 17, 49, 23, 58
  • 5, 5, 16, 10, 29, 15, 41, 20, 54, 25
span 1 {1 1 1}