Refinement of the Si-O-Si bond angle distribution in vitreous silica

M. G. Tucker; D. A. Keen; M. T. Dove; K. Trachenko

doi:10.1088/0953-8984/17/5/008

Refinement of the Si-O-Si bond angle distribution in vitreous silica

M. G. Tucker, D. A. Keen, M. T. Dove, K. Trachenko

Neutron Scattering Division

Research output: Contribution to journal › Article › peer-review

81 Scopus citations

Abstract

A model of silica glass consisting of a fully connected corner-sharing network of SiO₄ tetrahedra is refined using neutron diffraction data and reverse Monte Carlo modelling. This model is then used to investigate optimal inter-tetrahedral Si-O-Si bond angle distributions. The distribution which is most consistent with the data is found to be centred around θ_Si-O-Si = 151.0° with a standard deviation of between 9° and 12°. Other recent determinations of the Si-O-Si bond angle distribution are in good agreement with this result.

Original language	English
Pages (from-to)	S67-S75
Journal	Journal of Physics Condensed Matter
Volume	17
Issue number	5 SPEC. ISS.
DOIs	https://doi.org/10.1088/0953-8984/17/5/008
State	Published - Feb 9 2005

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abstract = "A model of silica glass consisting of a fully connected corner-sharing network of SiO4 tetrahedra is refined using neutron diffraction data and reverse Monte Carlo modelling. This model is then used to investigate optimal inter-tetrahedral Si-O-Si bond angle distributions. The distribution which is most consistent with the data is found to be centred around θSi-O-Si = 151.0° with a standard deviation of between 9° and 12°. Other recent determinations of the Si-O-Si bond angle distribution are in good agreement with this result.",

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AB - A model of silica glass consisting of a fully connected corner-sharing network of SiO4 tetrahedra is refined using neutron diffraction data and reverse Monte Carlo modelling. This model is then used to investigate optimal inter-tetrahedral Si-O-Si bond angle distributions. The distribution which is most consistent with the data is found to be centred around θSi-O-Si = 151.0° with a standard deviation of between 9° and 12°. Other recent determinations of the Si-O-Si bond angle distribution are in good agreement with this result.

UR - https://www.scopus.com/pages/publications/13644284037

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JO - Journal of Physics Condensed Matter

JF - Journal of Physics Condensed Matter

IS - 5 SPEC. ISS.

ER -

Refinement of the Si-O-Si bond angle distribution in vitreous silica

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