Ir11Zn6B6 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(4) and four equivalent B(1) atoms. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. In the third Ir site, Ir(3) is bonded in a 6-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two 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), two equivalent Zn(3), two equivalent Zn(4), and two equivalent B(2) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded to eight equivalent Ir(3) and two equivalent B(1) atoms to form distorted face-sharing ZnB2Ir8 cuboctahedra. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to four equivalent Ir(2), four equivalent Ir(4), one Zn(3), and two equivalent B(2) atoms. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), four equivalent Ir(3), and one Zn(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(4), and one Zn(3) atom.
Ir11Zn6B6 crystallizes in the orthorhombic Pmmm space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted body-centered cubic geometry to four equivalent Zn(4) and four equivalent B(1) atoms. All Ir(1)-Zn(4) bond lengths are 2.78 Å. All Ir(1)-B(1) bond lengths are 2.22 Å. In the second Ir site, Ir(2) is bonded in a 8-coordinate geometry to four equivalent Zn(3) and four equivalent B(2) atoms. All Ir(2)-Zn(3) bond lengths are 2.85 Å. All Ir(2)-B(2) bond lengths are 2.22 Å. In the third Ir site, Ir(3) is bonded in a 6-coordinate geometry to two equivalent Zn(2), two equivalent B(1), and two equivalent B(2) atoms. Both Ir(3)-Zn(2) bond lengths are 2.72 Å. Both Ir(3)-B(1) bond lengths are 2.18 Å. Both Ir(3)-B(2) bond lengths are 2.23 Å. In the fourth Ir site, Ir(4) is bonded in a distorted body-centered cubic geometry to two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(4), and two equivalent B(2) atoms. Both Ir(4)-Zn(1) bond lengths are 2.67 Å. Both Ir(4)-Zn(3) bond lengths are 2.69 Å. Both Ir(4)-Zn(4) bond lengths are 2.70 Å. Both Ir(4)-B(2) bond lengths are 2.14 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a body-centered cubic geometry to eight equivalent Ir(4) atoms. In the second Zn site, Zn(2) is bonded to eight equivalent Ir(3) and two equivalent B(1) atoms to form distorted face-sharing ZnB2Ir8 cuboctahedra. Both Zn(2)-B(1) bond lengths are 2.64 Å. In the third Zn site, Zn(3) is bonded in a 11-coordinate geometry to four equivalent Ir(2), four equivalent Ir(4), one Zn(3), and two equivalent B(2) atoms. The Zn(3)-Zn(3) bond length is 2.56 Å. Both Zn(3)-B(2) bond lengths are 2.69 Å. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to two equivalent Ir(1) and four equivalent Ir(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Ir(1), four equivalent Ir(3), and one Zn(2) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Ir(2), two equivalent Ir(3), two equivalent Ir(4), and one Zn(3) atom.