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DOE OSTI · 1307902

Materials Data on AlCuSe2 by Materials Project

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Abstract

CuAlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Al3+ atoms to form corner-sharing SeAl2Cu2 tetrahedra.

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36 MATERIALS SCIENCEAl-Cu-SeAlCuSe2crystal structure

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2020-05-29. Materials Data on AlCuSe2 by Materials Project. https://doi.org/10.17188/1307902

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