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DOE OSTI · 1307813

Materials Data on Al2ZnTe4 by Materials Project

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Abstract

ZnAl2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with eight AlTe4 tetrahedra. All Zn–Te bond lengths are 2.70 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent AlTe4 tetrahedra. All Al–Te bond lengths are 2.66 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent AlTe4 tetrahedra. All Al–Te bond lengths are 2.66 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Al3+ atoms.

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36 MATERIALS SCIENCEAl-Te-ZnAl2ZnTe4crystal structure

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2020-07-16. Materials Data on Al2ZnTe4 by Materials Project. https://doi.org/10.17188/1307813

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