A neutron diffraction and molecular dynamics investigation of the structure of vitreous beryllium fluoride

A combined neutron diffraction and molecular dynamics study is reported for vitreous beryllium fluoride. The structure of vitreous BeF 2 is remarkably similar to that of vitreous silica and may be envusaged as a random network of corner-sharing BeF 4 tetrahedra, with a BeF bond length of (1.553 ± 0...

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Bibliographic Details
Published in:Journal of non-crystalline solids 1989-11, Vol.111 (2), p.139-152
Main Authors: Wright, Adrian C., Clare, Alexis G., Etherington, George, Sinclair, Roger N., Brawer, Steven A., Weber, Marvin J.
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Disordered solids
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
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Summary:A combined neutron diffraction and molecular dynamics study is reported for vitreous beryllium fluoride. The structure of vitreous BeF 2 is remarkably similar to that of vitreous silica and may be envusaged as a random network of corner-sharing BeF 4 tetrahedra, with a BeF bond length of (1.553 ± 0.005) Å. In contrast to the predictions of the molecular dynamics simulation using simple pair potentials, the BeF 4 tetrahedra in the glass are extremely regular and network disorder arises from a wide distribution of BeFBe and bond torsion angles. It is this last aspect of the glass structure which eliminates structural models based on the crystalline BeF 2 polymorphs.
ISSN:0022-3093
1873-4812
DOI:10.1016/0022-3093(89)90275-5