Materials Data on FeB2 by Materials Project
FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. All Fe–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent B atoms. All B–B bond lengths are 1.74 Å.