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Structure · dataset · 2024

Bell and Dean Model for Vitreous Silica

Listed in Teesside University Research Data Repository

These data are from the paper: R. J. Bell and P. Dean (1972), “The structure of vitreous silica: Validity of the random network theory”, Philosophical Magazine, 25:6, 1381-1398.

Description

The appendix contains a list of 614 atomic positions of Si and O atoms based on a physical ball and stick model and provides one of the first random network representations for vitreous silica. The data consist of 614 rows of atoms with the identical structure of Appendix's Table 4 of the Bell and Dean paper: Atom number, atom number of neighbor #1, atom number of neighbor #2, atom number of neighbor #3, atom number of neighbor #4, atomic coordinate x, atomic coordinate y, atomic coordinate z The only mistake in the Appendix to the paper appears to be atom #173.

The corrected atom is position (x,y,z) = (1964.3, 522.3, 1220.6). The original data are in convenient units and the conversion to physical units is given by: 556.2 units = 1 nm.

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Teesside University Research Data Repositoryoai:data.mendeley.com/5sd8wrw9mp.216 h agoJSON v1
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