Structure 4124118

4124117 << 4124118 >> 4124125
Original COD entry Download CIF Download DOT

Citation: Zicovich-Wilson, C.M.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.; Durand-Niconoff, J.S. (2007). Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations. Journal of the American Chemical Society, 129, pp. 11512-11523.

Formula: O2 Si

Chemical name: Si O2

Cell parameters:

  • a = 9.208837 Å
  • b = 9.174551 Å
  • c = 8.984374 Å
  • α = 81.02271°
  • β = 98.20141°
  • γ = 68.48608°

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: O24 Si12 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 11, 29, 24, 64, 48, 119
  • 2, 6, 6, 16, 12, 30, 26, 68, 50, 124
  • 2, 6, 6, 16, 12, 31, 26, 68, 50, 121
  • 2, 6, 6, 16, 12, 31, 26, 68, 50, 124
  • 2, 6, 6, 18, 14, 35, 27, 68, 43, 101
  • 2, 6, 6, 18, 14, 35, 27, 68, 43, 103
  • 2, 6, 6, 18, 16, 44, 28, 66, 42, 96
  • 4, 4, 12, 9, 23, 19, 50, 38, 97, 61
  • 4, 4, 12, 9, 23, 19, 50, 38, 98, 62
  • 4, 4, 12, 12, 33, 23, 58, 36, 81, 56
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