FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Fe(1) is bonded to twelve equivalent B(1) atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. B(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1) and three equivalent B(1) atoms.
FeB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. Fe(1) is bonded to twelve equivalent B(1) atoms to form a mixture of edge and face-sharing FeB12 cuboctahedra. All Fe(1)-B(1) bond lengths are 2.22 Å. B(1) is bonded in a 9-coordinate geometry to six equivalent Fe(1) and three equivalent B(1) atoms. All B(1)-B(1) bond lengths are 1.74 Å.