Structure 3000110

3000109 << 3000110 >> 3000111
Original COD entry Download CIF Download DOT

Citation: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav (2017). Borates--Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations. Crystals, 7, pp. 93-.

Formula: Al2 B2 K2 O7

Cell parameters:

  • a = 8.5852(13) Å
  • b = 8.5852(13) Å
  • c = 8.4855(14) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: Al6 B6 O21 (Al2 B2 O7)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 5, 13, 13, 29, 22, 51, 42, 89
  • 2, 5, 5, 13, 13, 30, 25, 60, 45, 91
  • 2, 6, 6, 12, 12, 33, 24, 48, 42, 93
  • 2, 6, 6, 12, 12, 36, 30, 66, 48, 96
  • 3, 3, 9, 9, 21, 17, 39, 31, 73, 53
  • 4, 4, 9, 9, 24, 18, 39, 33, 75, 52
  • 4, 4, 9, 9, 24, 21, 51, 39, 84, 52
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