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Title: Stereochemistry of silicon in oxygen-containing compounds

Abstract

Specific stereochemical features of silicon in oxygen-containing compounds, including hybrid silicates with all oxygen atoms of SiO{sub n} groups ({sub 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 СаСl{sub 2}, α-PbO{sub 2}, or pyrite FeS{sub 2}, 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).

Authors:
 [1];  [2]
  1. Samara National Research University (Russian Federation)
  2. Moscow State University, Faculty of Geology (Russian Federation)
Publication Date:
OSTI Identifier:
22645264
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 62; Journal Issue: 1; Other Information: Copyright (c) 2017 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BCC LATTICES; FLUORITE; IRON SULFIDES; LEAD OXIDES; OXYGEN; PRESSURE RANGE GIGA PA; PYRITE; SILICON; SILICON OXIDES; STEREOCHEMISTRY; STISHOVITE

Citation Formats

Serezhkin, V. N., E-mail: Serezhkin@samsu.ru, and Urusov, V. S.. Stereochemistry of silicon in oxygen-containing compounds. United States: N. p., 2017. Web. doi:10.1134/S1063774517010229.
Serezhkin, V. N., E-mail: Serezhkin@samsu.ru, & Urusov, V. S.. Stereochemistry of silicon in oxygen-containing compounds. United States. doi:10.1134/S1063774517010229.
Serezhkin, V. N., E-mail: Serezhkin@samsu.ru, and Urusov, V. S.. Sun . "Stereochemistry of silicon in oxygen-containing compounds". United States. doi:10.1134/S1063774517010229.
@article{osti_22645264,
title = {Stereochemistry of silicon in oxygen-containing compounds},
author = {Serezhkin, V. N., E-mail: Serezhkin@samsu.ru and Urusov, V. S.},
abstractNote = {Specific stereochemical features of silicon in oxygen-containing compounds, including hybrid silicates with all oxygen atoms of SiO{sub n} groups ({sub 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 СаСl{sub 2}, α-PbO{sub 2}, or pyrite FeS{sub 2}, 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).},
doi = {10.1134/S1063774517010229},
journal = {Crystallography Reports},
number = 1,
volume = 62,
place = {United States},
year = {Sun Jan 15 00:00:00 EST 2017},
month = {Sun Jan 15 00:00:00 EST 2017}
}