Materials Data on VCoB3 by Materials Project
VCoB3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V2+ is bonded to twelve B1- atoms to form a mixture of edge and face-sharing VB12 cuboctahedra. There are a spread of V–B bond distances ranging from 2.29–2.37 Å. Co1+ is bonded in a 7-coordinate geometry to seven B1- atoms. There are three shorter (2.05 Å) and four longer (2.16 Å) Co–B bond lengths. There are three inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four equivalent V2+, two equivalent Co1+, and three B1- atoms. There is one shorter (1.74 Å) and two longer (1.77 Å) B–B bond length. In the second B1- site, B1- is bonded in a 9-coordinate geometry to six equivalent V2+ and three B1- atoms. Both B–B bond lengths are 1.73 Å. In the third B1- site, B1- is bonded in a 9-coordinate geometry to two equivalent V2+, five equivalent Co1+, and two equivalent B1- atoms.