Ir7Zn5B3 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a body-centered cubic geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and two equivalent B(1) atoms. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), two equivalent Zn(2), and one B(1) atom. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(5), four equivalent Ir(4), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), and one Zn(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), and one Zn(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), and two equivalent Ir(5) atoms.
Ir7Zn5B3 crystallizes in the orthorhombic Pmma space group. There are five inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a body-centered cubic geometry to four equivalent Zn(3) and four equivalent B(2) atoms. All Ir(1)-Zn(3) bond lengths are 2.62 Å. All Ir(1)-B(2) bond lengths are 2.28 Å. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and four equivalent Zn(3) atoms. Both Ir(2)-Zn(1) bond lengths are 2.53 Å. All Ir(2)-Zn(2) bond lengths are 2.79 Å. All Ir(2)-Zn(3) bond lengths are 2.57 Å. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. All Ir(3)-Zn(3) bond lengths are 2.82 Å. All Ir(3)-B(2) bond lengths are 2.20 Å. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(1), four equivalent Zn(2), and two equivalent B(1) atoms. Both Ir(4)-Zn(1) bond lengths are 2.57 Å. There are two shorter (2.60 Å) and two longer (3.18 Å) Ir(4)-Zn(2) bond lengths. Both Ir(4)-B(1) bond lengths are 2.28 Å. In the fifth Ir site, Ir(5) is bonded in a 2-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. Both Ir(5)-Zn(2) bond lengths are 2.78 Å. Both Ir(5)-B(1) bond lengths are 2.65 Å. Both Ir(5)-B(2) bond lengths are 2.13 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), two equivalent Zn(2), and one B(1) atom. Both Zn(1)-Zn(2) bond lengths are 2.47 Å. The Zn(1)-B(1) bond length is 2.67 Å. In the second Zn site, Zn(2) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(5), four equivalent Ir(4), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. The Zn(2)-Zn(3) bond length is 2.64 Å. Both Zn(2)-Zn(2) bond lengths are 2.86 Å. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), and one Zn(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), and one Zn(1) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), and two equivalent Ir(5) atoms.