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DOE OSTI · 1201370

Materials Data on CoAs2 by Materials Project

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Abstract

CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six As2- atoms to form a mixture of edge and corner-sharing CoAs6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Co–As bond distances ranging from 2.32–2.42 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom. The As–As bond length is 2.51 Å. In the second As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom.

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36 MATERIALS SCIENCEAs-CoCoAs2crystal structure

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2020-07-15. Materials Data on CoAs2 by Materials Project. https://doi.org/10.17188/1201370

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