Ir3Te8 crystallizes in the triclinic P-1 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Te(1), one Te(10), one Te(12), one Te(4), one Te(8), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the second Ir site, Ir(2) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(7) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(3)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(6)Te6 octahedra, and corners with two equivalent Te(6)TeIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the third Ir site, Ir(3) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(8) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(2)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(5)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-64°. In the fourth Ir site, Ir(4) is bonded to two equivalent Te(6), two equivalent Te(7), and two equivalent Te(8) atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. In the fifth Ir site, Ir(5) is bonded to one Te(1), one Te(11), one Te(12), one Te(5), one Te(6), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. In the sixth Ir site, Ir(6) is bonded to one Te(10), one Te(11), one Te(12), one Te(2), one Te(4), and one Te(6) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one Ir(5), and one Te(7) atom. In the second Te site, Te(2) is bonded in a distorted water-like geometry to one Ir(6) and one Te(8) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(3), and one Te(6) atom. In the fourth Te site, Te(4) is bonded to one Ir(1), one Ir(2), one Ir(6), and one Te(5) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-83°. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Ir(3), one Ir(5), and one Te(4) atom. In the sixth Te site, Te(6) is bonded to one Ir(4), one Ir(5), one Ir(6), and one Te(3) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 83°. In the seventh Te site, Te(7) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(4), and one Te(1) atom. In the eighth Te site, Te(8) is bonded to one Ir(1), one Ir(3), one Ir(4), and one Te(2) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(6)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the ninth Te site, Te(9) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(5), and one Te(9) atom. In the tenth Te site, Te(10) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(6), and one Te(10) atom. In the eleventh Te site, Te(11) is bonded in a 3-coordinate geometry to one Ir(5), one Ir(6), and one Te(11) atom. In the twelfth Te site, Te(12) is bonded to one Ir(1), one Ir(5), one Ir(6), and one Te(12) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(1)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Ir(6)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-82°.
Ir3Te8 crystallizes in the triclinic P-1 space group. There are six inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to one Te(1), one Te(10), one Te(12), one Te(4), one Te(8), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. The Ir(1)-Te(1) bond length is 2.66 Å. The Ir(1)-Te(10) bond length is 2.66 Å. The Ir(1)-Te(12) bond length is 2.69 Å. The Ir(1)-Te(4) bond length is 2.68 Å. The Ir(1)-Te(8) bond length is 2.71 Å. The Ir(1)-Te(9) bond length is 2.72 Å. In the second Ir site, Ir(2) is bonded to two equivalent Te(3), two equivalent Te(4), and two equivalent Te(7) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(3)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(6)Te6 octahedra, and corners with two equivalent Te(6)TeIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. Both Ir(2)-Te(3) bond lengths are 2.68 Å. Both Ir(2)-Te(4) bond lengths are 2.69 Å. Both Ir(2)-Te(7) bond lengths are 2.73 Å. In the third Ir site, Ir(3) is bonded to two equivalent Te(3), two equivalent Te(5), and two equivalent Te(8) atoms to form IrTe6 octahedra that share corners with two equivalent Ir(1)Te6 octahedra, corners with two equivalent Ir(2)Te6 octahedra, corners with two equivalent Ir(4)Te6 octahedra, corners with two equivalent Ir(5)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 62-64°. Both Ir(3)-Te(3) bond lengths are 2.66 Å. Both Ir(3)-Te(5) bond lengths are 2.70 Å. Both Ir(3)-Te(8) bond lengths are 2.70 Å. In the fourth Ir site, Ir(4) is bonded to two equivalent Te(6), two equivalent Te(7), and two equivalent Te(8) atoms to form corner-sharing IrTe6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. Both Ir(4)-Te(6) bond lengths are 2.72 Å. Both Ir(4)-Te(7) bond lengths are 2.67 Å. Both Ir(4)-Te(8) bond lengths are 2.68 Å. In the fifth Ir site, Ir(5) is bonded to one Te(1), one Te(11), one Te(12), one Te(5), one Te(6), and one Te(9) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(6)Te6 octahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. The Ir(5)-Te(1) bond length is 2.67 Å. The Ir(5)-Te(11) bond length is 2.70 Å. The Ir(5)-Te(12) bond length is 2.70 Å. The Ir(5)-Te(5) bond length is 2.65 Å. The Ir(5)-Te(6) bond length is 2.68 Å. The Ir(5)-Te(9) bond length is 2.66 Å. In the sixth Ir site, Ir(6) is bonded to one Te(10), one Te(11), one Te(12), one Te(2), one Te(4), and one Te(6) atom to form IrTe6 octahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(4)Te6 octahedra, corners with three equivalent Ir(1)Te6 octahedra, corners with three equivalent Ir(5)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, and  a cornercorner with one Te(12)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 62-64°. The Ir(6)-Te(10) bond length is 2.69 Å. The Ir(6)-Te(11) bond length is 2.68 Å. The Ir(6)-Te(12) bond length is 2.67 Å. The Ir(6)-Te(2) bond length is 2.65 Å. The Ir(6)-Te(4) bond length is 2.69 Å. The Ir(6)-Te(6) bond length is 2.70 Å. There are twelve inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted trigonal non-coplanar geometry to one Ir(1), one Ir(5), and one Te(7) atom. The Te(1)-Te(7) bond length is 2.87 Å. In the second Te site, Te(2) is bonded in a distorted water-like geometry to one Ir(6) and one Te(8) atom. The Te(2)-Te(8) bond length is 2.85 Å. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(3), and one Te(6) atom. The Te(3)-Te(6) bond length is 2.89 Å. In the fourth Te site, Te(4) is bonded to one Ir(1), one Ir(2), one Ir(6), and one Te(5) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-83°. The Te(4)-Te(5) bond length is 2.93 Å. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Ir(3), one Ir(5), and one Te(4) atom. In the sixth Te site, Te(6) is bonded to one Ir(4), one Ir(5), one Ir(6), and one Te(3) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(2)Te6 octahedra,  a cornercorner with one Ir(3)Te6 octahedra,  a cornercorner with one Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(4)TeIr3 trigonal pyramid, and corners with two equivalent Te(12)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 83°. In the seventh Te site, Te(7) is bonded in a 3-coordinate geometry to one Ir(2), one Ir(4), and one Te(1) atom. In the eighth Te site, Te(8) is bonded to one Ir(1), one Ir(3), one Ir(4), and one Te(2) atom to form distorted TeTeIr3 tetrahedra that share  a cornercorner with one Ir(6)Te6 octahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, corners with two equivalent Te(8)TeIr3 tetrahedra,  a cornercorner with one Te(12)TeIr3 trigonal pyramid, and  a cornercorner with one Te(4)TeIr3 trigonal pyramid. The corner-sharing octahedral tilt angles are 80°. In the ninth Te site, Te(9) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(5), and one Te(9) atom. The Te(9)-Te(9) bond length is 2.88 Å. In the tenth Te site, Te(10) is bonded in a 3-coordinate geometry to one Ir(1), one Ir(6), and one Te(10) atom. The Te(10)-Te(10) bond length is 2.87 Å. In the eleventh Te site, Te(11) is bonded in a 3-coordinate geometry to one Ir(5), one Ir(6), and one Te(11) atom. The Te(11)-Te(11) bond length is 2.87 Å. In the twelfth Te site, Te(12) is bonded to one Ir(1), one Ir(5), one Ir(6), and one Te(12) atom to form distorted TeTeIr3 trigonal pyramids that share  a cornercorner with one Ir(1)Te6 octahedra,  a cornercorner with one Ir(5)Te6 octahedra,  a cornercorner with one Ir(6)Te6 octahedra,  a cornercorner with one Te(8)TeIr3 tetrahedra, corners with two equivalent Te(6)TeIr3 tetrahedra, and corners with two equivalent Te(4)TeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 81-82°. The Te(12)-Te(12) bond length is 2.92 Å.