Cr2IrB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. Ir(1) is bonded in a 3-coordinate geometry to one B(1) and two 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 two equivalent Cr(1), four equivalent Cr(2), one Ir(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), two equivalent Ir(1), and one B(1) atom.
Cr2IrB2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to two equivalent B(1) and three equivalent B(2) atoms. Both Cr(1)-B(1) bond lengths are 2.22 Å. There are two shorter (2.13 Å) and one longer (2.60 Å) Cr(1)-B(2) bond length. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to three equivalent B(2) and four equivalent B(1) atoms. There are two shorter (2.15 Å) and one longer (2.57 Å) Cr(2)-B(2) bond length. There are two shorter (2.17 Å) and two longer (2.23 Å) Cr(2)-B(1) bond lengths. Ir(1) is bonded in a 3-coordinate geometry to one B(1) and two equivalent B(2) atoms. The Ir(1)-B(1) bond length is 2.30 Å. Both Ir(1)-B(2) bond lengths are 2.13 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Cr(1), four equivalent Cr(2), one Ir(1), one B(1), and one B(2) atom. The B(1)-B(1) bond length is 1.81 Å. The B(1)-B(2) bond length is 1.78 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Cr(1), three equivalent Cr(2), two equivalent Ir(1), and one B(1) atom.