Structure 1010437

1010436 << 1010437 >> 1010440
Original COD entry Download CIF Download DOT

Citation: Zachariasen, W H (1931). The Crystal Lattice of Calcium Metaborate, Ca B~2~ O~4~. Proceedings of the National Academy of Sciences, U.S.A., 17, pp. 617-619.

Formula: B2 Ca O4

Chemical name: Calcium diborate

Cell parameters:

  • a = 6.19 Å
  • b = 11.6 Å
  • c = 4.28 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 O4 (B O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 O4 (B O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 O4 (B O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: B2 O4 (B O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 4, 2, 4, 2, 4, 2, 4
  • 2, 4, 2, 4, 2, 4, 2, 4, 2, 4
  • 3, 2, 4, 2, 4, 2, 4, 2, 4, 2
span 1 {1 1 1}