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Crystallographic Analysis of SiO2 Polymorphs

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Abstract

The crystallographic analysis of six SiO2 phases (α-quartz, β-tridymite, α- and β-cristobalite, coesite, and stishovite) is performed. The effect of the local symmetry of SiO4 tetrahedra on the symmetry of phases tending either to highly symmetrical cubic P-cristobalite or hexagonal P-tridymite is shown. The parameters of cation, anion, and joint pseudotranslational sublattices characterizing the atomic configurations of the structures and their individual features are calculated. The relative stability of the phases is considered.

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Correspondence to S. V. Borisov.

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The authors declare that they have no conflict of interests.

Russian Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 12, pp. 2031-2043.

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Borisov, S.V., Pervukhina, N.V. & Magarill, S. Crystallographic Analysis of SiO2 Polymorphs. J Struct Chem 60, 1946–1958 (2019). https://doi.org/10.1134/S0022476619120102

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  • DOI: https://doi.org/10.1134/S0022476619120102

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