Structure 9007378

9007377 << 9007378 >> 9007379
Original COD entry Download CIF Download DOT

Citation: Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R. (2005). Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory. Physics and Chemistry of Minerals, 32, pp. 323-331.

Formula: O2 Si

Cell parameters:

  • a = 4.98 Å
  • b = 4.98 Å
  • c = 5.46 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: O6 Si3 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 18, 18, 51, 42, 103, 62, 156
  • 4, 4, 12, 12, 36, 30, 84, 52, 124, 80
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