Materials Data on CoSb2 by Materials Project
CoSb2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six Sb1- atoms to form a mixture of edge and corner-sharing CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 49–56°. There are a spread of Co–Sb bond distances ranging from 2.51–2.61 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 3-coordinate geometry to three equivalent Co2+ atoms. In the second Sb1- site, Sb1- is bonded in a 4-coordinate geometry to three equivalent Co2+ atoms.
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