Ir11Zn6B5 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Ir site, Ir(2) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(1) atoms. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(2) atoms. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(4), two equivalent B(1), and two equivalent B(3) atoms. In the fifth Ir site, Ir(5) is bonded in a 4-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), and two equivalent B(2) atoms. In the sixth Ir site, Ir(6) is bonded in a 6-coordinate geometry to four equivalent Zn(5) and two equivalent B(3) atoms. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), one Zn(2), one Zn(3), two equivalent Zn(1), and two equivalent B(1) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), four equivalent Ir(3), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to four equivalent Ir(2), four equivalent Ir(3), and one Zn(1) atom. In the fourth Zn site, Zn(4) is bonded in a distorted body-centered cubic geometry to four equivalent Ir(4) and four equivalent Ir(5) atoms. In the fifth Zn site, Zn(5) is bonded in a 9-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), two equivalent Ir(6), and one B(2) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(4), 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), two equivalent Ir(5), and one Zn(5) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(6) and four equivalent Ir(4) atoms.
Ir11Zn6B5 crystallizes in the orthorhombic Pmm2 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 8-coordinate geometry to two equivalent Zn(1), two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. Both Ir(1)-Zn(1) bond lengths are 2.83 Å. Both Ir(1)-Zn(2) bond lengths are 2.78 Å. Both Ir(1)-B(1) bond lengths are 2.19 Å. Both Ir(1)-B(2) bond lengths are 2.24 Å. In the second Ir site, Ir(2) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(1) atoms. Both Ir(2)-Zn(1) bond lengths are 2.68 Å. Both Ir(2)-Zn(3) bond lengths are 2.63 Å. Both Ir(2)-Zn(5) bond lengths are 2.70 Å. Both Ir(2)-B(1) bond lengths are 2.14 Å. In the third Ir site, Ir(3) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and two equivalent B(2) atoms. Both Ir(3)-Zn(2) bond lengths are 2.65 Å. Both Ir(3)-Zn(3) bond lengths are 2.62 Å. Both Ir(3)-Zn(5) bond lengths are 2.68 Å. Both Ir(3)-B(2) bond lengths are 2.18 Å. In the fourth Ir site, Ir(4) is bonded in a 6-coordinate geometry to two equivalent Zn(4), two equivalent B(1), and two equivalent B(3) atoms. Both Ir(4)-Zn(4) bond lengths are 2.71 Å. Both Ir(4)-B(1) bond lengths are 2.19 Å. Both Ir(4)-B(3) bond lengths are 2.21 Å. In the fifth Ir site, Ir(5) is bonded in a 4-coordinate geometry to two equivalent Zn(4), two equivalent Zn(5), and two equivalent B(2) atoms. Both Ir(5)-Zn(4) bond lengths are 2.66 Å. Both Ir(5)-Zn(5) bond lengths are 2.78 Å. Both Ir(5)-B(2) bond lengths are 2.14 Å. In the sixth Ir site, Ir(6) is bonded in a 6-coordinate geometry to four equivalent Zn(5) and two equivalent B(3) atoms. All Ir(6)-Zn(5) bond lengths are 2.68 Å. Both Ir(6)-B(3) bond lengths are 2.09 Å. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to four equivalent Ir(1), four equivalent Ir(2), one Zn(2), one Zn(3), two equivalent Zn(1), and two equivalent B(1) atoms. The Zn(1)-Zn(2) bond length is 2.52 Å. The Zn(1)-Zn(3) bond length is 2.91 Å. Both Zn(1)-Zn(1) bond lengths are 2.88 Å. Both Zn(1)-B(1) bond lengths are 2.65 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), four equivalent Ir(3), and one Zn(1) atom. In the third Zn site, Zn(3) is bonded in a body-centered cubic geometry to four equivalent Ir(2), four equivalent Ir(3), and one Zn(1) atom. In the fourth Zn site, Zn(4) is bonded in a distorted body-centered cubic geometry to four equivalent Ir(4) and four equivalent Ir(5) atoms. In the fifth Zn site, Zn(5) is bonded in a 9-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(5), two equivalent Ir(6), and one B(2) atom. The Zn(5)-B(2) bond length is 2.63 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), two equivalent Ir(2), two equivalent Ir(4), 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), two equivalent Ir(5), and one Zn(5) atom. In the third B site, B(3) is bonded in a 6-coordinate geometry to two equivalent Ir(6) and four equivalent Ir(4) atoms.