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 distorted 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 four equivalent Zn(2), four equivalent Zn(3), and two equivalent B(1) 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 distorted body-centered cubic 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 6-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent B(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), 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(3), two equivalent Zn(2), and one B(1) atom. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), one Zn(2), and three equivalent Zn(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), one Zn(1), and two equivalent Zn(2) atoms. In the second B site, B(2) is bonded to two equivalent Ir(1), two equivalent Ir(3), and two equivalent Ir(5) atoms to form a mixture of distorted edge, corner, and face-sharing BIr6 pentagonal pyramids.
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 distorted body-centered cubic geometry to four equivalent Zn(3) and four equivalent B(2) atoms. All Ir(1)-Zn(3) bond lengths are 2.74 Å. All Ir(1)-B(2) bond lengths are 2.22 Å. In the second Ir site, Ir(2) is bonded in a 10-coordinate geometry to four equivalent Zn(2), four equivalent Zn(3), and two equivalent B(1) atoms. All Ir(2)-Zn(2) bond lengths are 2.71 Å. All Ir(2)-Zn(3) bond lengths are 2.75 Å. Both Ir(2)-B(1) bond lengths are 2.21 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 2.86 Å. All Ir(3)-B(2) bond lengths are 2.21 Å. In the fourth Ir site, Ir(4) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), four equivalent Zn(2), and two equivalent B(1) atoms. Both Ir(4)-Zn(1) bond lengths are 2.68 Å. There are two shorter (2.64 Å) and two longer (2.66 Å) Ir(4)-Zn(2) bond lengths. Both Ir(4)-B(1) bond lengths are 2.19 Å. In the fifth Ir site, Ir(5) is bonded in a 6-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent B(2) atoms. Both Ir(5)-Zn(1) bond lengths are 2.59 Å. Both Ir(5)-Zn(2) bond lengths are 2.63 Å. Both Ir(5)-Zn(3) bond lengths are 2.88 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 9-coordinate geometry to four equivalent Ir(4), four equivalent Ir(5), and one B(1) atom. The Zn(1)-B(1) bond length is 2.66 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(3), two equivalent Zn(2), and one B(1) atom. The Zn(2)-Zn(3) bond length is 2.64 Å. Both Zn(2)-Zn(2) bond lengths are 2.85 Å. The Zn(2)-B(1) bond length is 2.53 Å. In the third Zn site, Zn(3) is bonded in a 12-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), one Zn(2), and three equivalent Zn(3) atoms. There is one shorter (2.64 Å) and two longer (2.85 Å) Zn(3)-Zn(3) bond lengths. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ir(2), four equivalent Ir(4), one Zn(1), and two equivalent Zn(2) atoms. In the second B site, B(2) is bonded to two equivalent Ir(1), two equivalent Ir(3), and two equivalent Ir(5) atoms to form a mixture of distorted edge, corner, and face-sharing BIr6 pentagonal pyramids.