FeCoB2 crystallizes in the orthorhombic Pmc2_1 space group. Fe(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Co(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), three equivalent Co(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1), four equivalent Co(1), and two equivalent B(1) atoms.
FeCoB2 crystallizes in the orthorhombic Pmc2_1 space group. Fe(1) is bonded in a 7-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are a spread of Fe(1)-B(2) bond distances ranging from 2.11-2.14 Å. There are two shorter (2.13 Å) and two longer (2.14 Å) Fe(1)-B(1) bond lengths. Co(1) is bonded in a 7-coordinate geometry to three equivalent B(1) and four equivalent B(2) atoms. There are two shorter (2.10 Å) and one longer (2.14 Å) Co(1)-B(1) bond length. There are two shorter (2.13 Å) and two longer (2.14 Å) Co(1)-B(2) bond lengths. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1), three equivalent Co(1), and two equivalent B(2) atoms. Both B(1)-B(2) bond lengths are 1.82 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Fe(1), four equivalent Co(1), and two equivalent B(1) atoms.