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DOE OSTI · 1188142

Materials Data on Al2Se3 by Materials Project

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Abstract

Al2Se3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Se2- atoms to form corner-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.33–2.47 Å. In the second Al3+ site, Al3+ is bonded to four Se2- atoms to form corner-sharing AlSe4 tetrahedra. There are a spread of Al–Se bond distances ranging from 2.34–2.48 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two Al3+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms. In the third Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to three Al3+ atoms.

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36 MATERIALS SCIENCEAl-SeAl2Se3crystal structure

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2020-07-16. Materials Data on Al2Se3 by Materials Project. https://doi.org/10.17188/1188142

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