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DOE OSTI · 1687861

Materials Data on CuAsSe by Materials Project

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Abstract

CuAsSe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu3+ is bonded to one As1- and three equivalent Se2- atoms to form CuAsSe3 tetrahedra that share a cornercorner with one SeCu3As tetrahedra and corners with six equivalent CuAsSe3 tetrahedra. The Cu–As bond length is 2.40 Å. All Cu–Se bond lengths are 2.43 Å. As1- is bonded in a 4-coordinate geometry to one Cu3+, two equivalent As1-, and one Se2- atom. Both As–As bond lengths are 2.57 Å. The As–Se bond length is 2.46 Å. Se2- is bonded to three equivalent Cu3+ and one As1- atom to form SeCu3As tetrahedra that share a cornercorner with one CuAsSe3 tetrahedra and corners with six equivalent SeCu3As tetrahedra.

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36 MATERIALS SCIENCEAs-Cu-Secrystal structureCuAsSe

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2020-05-04. Materials Data on CuAsSe by Materials Project. https://doi.org/10.17188/1687861

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