Ir4ZnB3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded to two equivalent B(2) and four equivalent B(3) atoms to form a mixture of distorted edge, face, and corner-sharing IrB6 pentagonal pyramids. In the third Ir site, Ir(3) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(3) atoms. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent B(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to eight equivalent Ir(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Ir(3) and four equivalent Ir(4) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third B site, B(3) is bonded to two equivalent Ir(3) and four equivalent Ir(2) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids.
Ir4ZnB3 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(2) atoms. All Ir(1)-Zn(2) bond lengths are 2.79 Å. All Ir(1)-B(2) bond lengths are 2.18 Å. In the second Ir site, Ir(2) is bonded to two equivalent B(2) and four equivalent B(3) atoms to form a mixture of distorted edge, face, and corner-sharing IrB6 pentagonal pyramids. Both Ir(2)-B(2) bond lengths are 2.24 Å. All Ir(2)-B(3) bond lengths are 2.24 Å. In the third Ir site, Ir(3) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent B(3) atoms. Both Ir(3)-B(1) bond lengths are 2.15 Å. Both Ir(3)-B(3) bond lengths are 2.12 Å. In the fourth Ir site, Ir(4) is bonded in a 8-coordinate geometry to four equivalent Zn(1) and four equivalent B(1) atoms. All Ir(4)-Zn(1) bond lengths are 2.77 Å. All Ir(4)-B(1) bond lengths are 2.20 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to eight equivalent Ir(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to two equivalent Ir(3) and four equivalent Ir(4) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2) and four equivalent Ir(1) atoms. In the third B site, B(3) is bonded to two equivalent Ir(3) and four equivalent Ir(2) atoms to form a mixture of distorted edge, face, and corner-sharing BIr6 pentagonal pyramids.