Ir3Te8 crystallizes in the trigonal R-3 space group. Ir(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form IrTe6 octahedra that share corners with eight equivalent Ir(1)Te6 octahedra and corners with two equivalent Te(2)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one Te(1) atom. In the second Te site, Te(2) is bonded to three equivalent Ir(1) and one Te(2) atom to form distorted TeTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Te6 octahedra and corners with three equivalent Te(2)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 82°.
Ir3Te8 crystallizes in the trigonal R-3 space group. Ir(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form IrTe6 octahedra that share corners with eight equivalent Ir(1)Te6 octahedra and corners with two equivalent Te(2)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-63°. Both Ir(1)-Te(2) bond lengths are 2.70 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Ir(1)-Te(1) bond lengths. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one Te(1) atom. The Te(1)-Te(1) bond length is 2.86 Å. In the second Te site, Te(2) is bonded to three equivalent Ir(1) and one Te(2) atom to form distorted TeTeIr3 trigonal pyramids that share corners with three equivalent Ir(1)Te6 octahedra and corners with three equivalent Te(2)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 82°. The Te(2)-Te(2) bond length is 2.93 Å.