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 4-coordinate geometry to two equivalent Zn(3) and four equivalent Zn(1) atoms. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(1) atoms. In the fourth Ir site, Ir(4) is bonded in a 10-coordinate geometry to two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. In the fifth Ir site, Ir(5) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(2) and four equivalent B(1) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), four equivalent Ir(1), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ir(3), two equivalent Ir(4), two equivalent Ir(5), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(4), four equivalent Ir(1), and two equivalent Zn(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second B site, B(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ir(2) 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 4-coordinate geometry to two equivalent Zn(3) and four equivalent Zn(1) atoms. Both Ir(1)-Zn(3) bond lengths are 2.54 Å. There are two shorter (2.59 Å) and two longer (3.00 Å) Ir(1)-Zn(1) bond lengths. In the second Ir site, Ir(2) is bonded in a 4-coordinate geometry to two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. Both Ir(2)-Zn(1) bond lengths are 2.86 Å. Both Ir(2)-B(1) bond lengths are 2.18 Å. Both Ir(2)-B(2) bond lengths are 2.20 Å. In the third Ir site, Ir(3) is bonded in a 8-coordinate geometry to four equivalent Zn(2) and four equivalent B(1) atoms. All Ir(3)-Zn(2) bond lengths are 2.79 Å. All Ir(3)-B(1) bond lengths are 2.20 Å. In the fourth Ir site, Ir(4) is bonded in a 10-coordinate geometry to two equivalent Zn(3), four equivalent Zn(1), and four equivalent Zn(2) atoms. Both Ir(4)-Zn(3) bond lengths are 2.63 Å. All Ir(4)-Zn(1) bond lengths are 2.66 Å. All Ir(4)-Zn(2) bond lengths are 2.63 Å. In the fifth Ir site, Ir(5) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(2) and four equivalent B(1) atoms. All Ir(5)-Zn(2) bond lengths are 2.70 Å. All Ir(5)-B(1) bond lengths are 2.25 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), four equivalent Ir(1), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 2.62 Å. The Zn(1)-Zn(3) bond length is 2.62 Å. Both Zn(1)-Zn(1) bond lengths are 2.82 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent Ir(3), two equivalent Ir(4), two equivalent Ir(5), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to two equivalent Ir(4), four equivalent Ir(1), and two equivalent Zn(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), and two equivalent Ir(5) atoms. In the second B site, B(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Ir(2) atoms.