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Stereochemistry of silicon in oxygen-containing compounds

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Abstract

Specific stereochemical features of silicon in oxygen-containing compounds, including hybrid silicates with all oxygen atoms of SiOn groups (n = 4, 5, or 6) entering into the composition of organic anions or molecules, are described by characteristics of Voronoi—Dirichlet polyhedra. It is found that in rutile-like stishovite and post-stishovite phases with the structures similar to those of СаСl2, α-PbO2, or pyrite FeS2, the volume of Voronoi—Dirichlet polyhedra of silicon and oxygen atoms decreases linearly with pressure increasing to 268 GPa. Based on these results, the possibility of formation of new post-stishovite phases is shown, namely, the fluorite-like structure (transition predicted at ~400 GPa) and a body-centered cubic lattice with statistical arrangement of silicon and oxygen atoms (~900 GPa).

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Authors and Affiliations

  1. Samara National Research University, Samara, 443086, Russia

    V. N. Serezhkin

  2. Faculty of Geology, Moscow State University, Moscow, 119992, Russia

    V. S. Urusov

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  1. V. N. Serezhkin
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  2. V. S. Urusov
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Correspondence to V. N. Serezhkin.

Additional information

Original Russian Text © V.N. Serezhkin, V.S. Urusov, 2017, published in Kristallografiya, 2017, Vol. 62, No. 1, pp. 43–53.

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Serezhkin, V.N., Urusov, V.S. Stereochemistry of silicon in oxygen-containing compounds. Crystallogr. Rep. 62, 50–59 (2017). https://doi.org/10.1134/S1063774517010229

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