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DOE OSTI · 1724826

Materials Data on ReAs3 by Materials Project

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Abstract

ReAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. In the second Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a distorted body-centered cubic geometry to four Re3+ and four As1- atoms. All As–As bond lengths are 2.78 Å. In the second As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms. In the third As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms.

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36 MATERIALS SCIENCEAs-Recrystal structureReAs3

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2020-05-02. Materials Data on ReAs3 by Materials Project. https://doi.org/10.17188/1724826

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