Zr2Ir6B crystallizes in the cubic Fm-3m space group. Zr(1) is bonded to twelve equivalent Ir(1) atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent Zr(1)Ir12 cuboctahedra, faces with six equivalent Zr(1)Ir12 cuboctahedra, and faces with four equivalent B(1)Ir6 octahedra. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Zr(1) and one B(1) atom. B(1) is bonded to six equivalent Ir(1) atoms to form BIr6 octahedra that share faces with eight equivalent Zr(1)Ir12 cuboctahedra.
Zr2Ir6B crystallizes in the cubic Fm-3m space group. Zr(1) is bonded to twelve equivalent Ir(1) atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent Zr(1)Ir12 cuboctahedra, faces with six equivalent Zr(1)Ir12 cuboctahedra, and faces with four equivalent B(1)Ir6 octahedra. All Zr(1)-Ir(1) bond lengths are 2.86 Å. Ir(1) is bonded in a 5-coordinate geometry to four equivalent Zr(1) and one B(1) atom. The Ir(1)-B(1) bond length is 2.09 Å. B(1) is bonded to six equivalent Ir(1) atoms to form BIr6 octahedra that share faces with eight equivalent Zr(1)Ir12 cuboctahedra.