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DOE OSTI · 1307903

Materials Data on AlCuTe2 by Materials Project

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Abstract

CuAlTe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent AlTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. Al3+ is bonded to four equivalent Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent AlTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Al–Te bond lengths are 2.66 Å. Te2- is bonded to two equivalent Cu1+ and two equivalent Al3+ atoms to form corner-sharing TeAl2Cu2 tetrahedra.

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36 MATERIALS SCIENCEAl-Cu-TeAlCuTe2crystal structure

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2020-07-16. Materials Data on AlCuTe2 by Materials Project. https://doi.org/10.17188/1307903

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