Structure 1001817

1001816 << 1001817 >> 1001818
Original COD entry Download CIF Download DOT

Citation: Groult, D; Michel, C; Raveau, B (1975). Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions. Journal of Inorganic and Nuclear Chemistry, 37, pp. 2203-2205.

Formula: Ba0.5 H3 Nb2 O7

Chemical name: Barium hydrogen niobium oxide hydrate (0.5/1/2/6/1)

Cell parameters:

  • a = 10.607(5) Å
  • b = 10.607(5) Å
  • c = 10.607(5) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 3

Formula: Nb16 O48 (Nb O3)

Multiplicity: 1

Coordination sequences:

  • 2, 10, 8, 31, 24, 94, 56, 193, 92, 322
  • 6, 6, 24, 18, 72, 48, 168, 78, 276, 126
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: Ba16 O8 (Ba2 O)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 18, 18, 48, 30, 78, 54, 126
  • 4, 4, 12, 12, 36, 24, 60, 42, 108, 64
span 1 {1 1 1}