Structure 4119492

4119462 << 4119492 >> 4119561
Original COD entry Download CIF Download DOT

Citation: Hongping Wu; Hongwei Yu; Zhihua Yang; Xueling Hou; Xin Su; Shilie Pan; Kenneth R. Poeppelmeier; James M. Rondinelli (2013). Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response. Journal of the American Chemical Society, 135, pp. 4215-4218.

Formula: B11 Ba4 F O20

Chemical name: ?

Cell parameters:

  • a = 18.8112(15) Å
  • b = 10.7151(6) Å
  • c = 8.6031(5) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: B44 O80 (B11 O20)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 5, 4, 8, 6, 14, 12, 26
  • 2, 5, 3, 6, 5, 11, 9, 20, 18, 41
  • 2, 5, 4, 9, 7, 14, 11, 26, 23, 48
  • 2, 5, 4, 9, 8, 17, 14, 32, 24, 49
  • 2, 5, 4, 9, 8, 17, 14, 32, 25, 50
  • 2, 5, 4, 9, 9, 20, 16, 35, 26, 52
  • 2, 5, 5, 11, 9, 20, 15, 32, 25, 54
  • 2, 5, 5, 11, 9, 20, 17, 38, 26, 52
  • 2, 6, 5, 9, 6, 14, 12, 26, 24, 56
  • 2, 6, 5, 9, 6, 14, 13, 29, 24, 51
  • 2, 6, 5, 9, 8, 20, 16, 32, 24, 52
  • 3, 2, 5, 4, 8, 6, 14, 12, 26, 24
  • 3, 3, 8, 7, 14, 10, 23, 20, 42, 31
  • 3, 3, 8, 7, 14, 12, 29, 23, 45, 30
  • 4, 4, 8, 5, 11, 9, 20, 18, 41, 33
  • 4, 4, 8, 6, 14, 12, 26, 21, 45, 31
  • 4, 4, 8, 7, 17, 14, 29, 22, 47, 32
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