Structure 1100056

1100055 << 1100056 >> 1100057
Original COD entry Download CIF Download DOT

Citation: Yang, Z; Liang, J; Chen, X; Xu, T; Xu, Y (2001). Synthesis and crystal structure of a new compound CaGaBO~4~. Journal of Alloys and Compounds, 327, pp. 215-219.

Formula: B Ca Ga O4

Chemical name: Calcium Gallium Boron Oxide (1/1/1/4)

Cell parameters:

  • a = 15.473(1) Å
  • b = 8.2940(8) Å
  • c = 5.8392(6) Å
  • α = 90°
  • β = 90°
  • 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 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 Ga2 O8 (B Ga O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 4, 8, 4, 8
  • 2, 5, 3, 6, 4, 8, 4, 8, 4, 8
  • 2, 6, 5, 9, 4, 8, 4, 8, 4, 8
  • 3, 2, 5, 4, 8, 4, 8, 4, 8, 4
  • 4, 4, 8, 4, 8, 4, 8, 4, 8, 4
span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 Ga2 O8 (B Ga O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 4, 8, 4, 8
  • 2, 5, 3, 6, 4, 8, 4, 8, 4, 8
  • 2, 6, 5, 9, 4, 8, 4, 8, 4, 8
  • 3, 2, 5, 4, 8, 4, 8, 4, 8, 4
  • 4, 4, 8, 4, 8, 4, 8, 4, 8, 4
span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 Ga2 O8 (B Ga O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 4, 8, 4, 8
  • 2, 5, 3, 6, 4, 8, 4, 8, 4, 8
  • 2, 6, 5, 9, 4, 8, 4, 8, 4, 8
  • 3, 2, 5, 4, 8, 4, 8, 4, 8, 4
  • 4, 4, 8, 4, 8, 4, 8, 4, 8, 4
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 Ga2 O8 (B Ga O4)

Multiplicity: 1

span 1 {1 1 1}