Materials Data on CoBMo by Materials Project

Abstract

CoMoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent B3- atoms to form distorted MoB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are four shorter (2.39 Å) and one longer (2.43 Å) Mo–B bond lengths. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.08–2.23 Å. B3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.