As5Te7I crystallizes in the triclinic P1 space group. There are five inequivalent As sites. In the first As site, As(1) is bonded to one As(5), one Te(2), one Te(3), one Te(6), and one I(1) atom to form AsTe3AsI square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid, and  an edgeedge with one Te(4)TeAs3I square pyramid. In the second As site, As(2) is bonded in a 3-coordinate geometry to one As(4), one Te(2), one Te(4), and one Te(5) atom. In the third As site, As(3) is bonded in a see-saw-like geometry to one Te(1), one Te(2), one Te(3), and one Te(5) atom. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to one As(2), one Te(4), and one Te(6) atom. In the fifth As site, As(5) is bonded to one As(1), one Te(4), one Te(5), one Te(6), and one Te(7) atom to form AsTe4As square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(3)Te3As2 square pyramid,  an edgeedge with one Te(2)Te2As3 square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one As(3), one Te(3), and one Te(7) atom. In the second Te site, Te(2) is bonded to one As(1), one As(2), one As(3), one Te(4), and one Te(6) atom to form distorted TeTe2As3 square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. In the third Te site, Te(3) is bonded to one As(1), one As(3), one Te(1), one Te(5), and one Te(7) atom to form distorted TeTe3As2 square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(2)Te2As3 square pyramid. In the fourth Te site, Te(4) is bonded to one As(2), one As(4), one As(5), one Te(2), and one I(1) atom to form TeTeAs3I square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid, and  an edgeedge with one As(1)Te3AsI square pyramid. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one As(2), one As(3), one As(5), one Te(3), and one Te(6) atom. In the sixth Te site, Te(6) is bonded in a 3-coordinate geometry to one As(1), one As(4), one As(5), one Te(2), and one Te(5) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one As(5), one Te(1), one Te(3), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one As(1), one Te(4), and one Te(7) atom.
As5Te7I crystallizes in the triclinic P1 space group. There are five inequivalent As sites. In the first As site, As(1) is bonded to one As(5), one Te(2), one Te(3), one Te(6), and one I(1) atom to form AsTe3AsI square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid, and  an edgeedge with one Te(4)TeAs3I square pyramid. The As(1)-As(5) bond length is 2.61 Å. The As(1)-Te(2) bond length is 3.03 Å. The As(1)-Te(3) bond length is 2.73 Å. The As(1)-Te(6) bond length is 3.01 Å. The As(1)-I(1) bond length is 3.22 Å. In the second As site, As(2) is bonded in a 3-coordinate geometry to one As(4), one Te(2), one Te(4), and one Te(5) atom. The As(2)-As(4) bond length is 2.48 Å. The As(2)-Te(2) bond length is 3.27 Å. The As(2)-Te(4) bond length is 2.98 Å. The As(2)-Te(5) bond length is 2.70 Å. In the third As site, As(3) is bonded in a see-saw-like geometry to one Te(1), one Te(2), one Te(3), and one Te(5) atom. The As(3)-Te(1) bond length is 2.69 Å. The As(3)-Te(2) bond length is 2.73 Å. The As(3)-Te(3) bond length is 2.92 Å. The As(3)-Te(5) bond length is 3.21 Å. In the fourth As site, As(4) is bonded in a 3-coordinate geometry to one As(2), one Te(4), and one Te(6) atom. The As(4)-Te(4) bond length is 2.98 Å. The As(4)-Te(6) bond length is 2.67 Å. In the fifth As site, As(5) is bonded to one As(1), one Te(4), one Te(5), one Te(6), and one Te(7) atom to form AsTe4As square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid,  a cornercorner with one Te(3)Te3As2 square pyramid,  an edgeedge with one Te(2)Te2As3 square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. The As(5)-Te(4) bond length is 3.04 Å. The As(5)-Te(5) bond length is 3.06 Å. The As(5)-Te(6) bond length is 3.04 Å. The As(5)-Te(7) bond length is 2.81 Å. There are seven inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one As(3), one Te(3), and one Te(7) atom. The Te(1)-Te(3) bond length is 3.38 Å. The Te(1)-Te(7) bond length is 2.88 Å. In the second Te site, Te(2) is bonded to one As(1), one As(2), one As(3), one Te(4), and one Te(6) atom to form distorted TeTe2As3 square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one As(5)Te4As square pyramid,  a cornercorner with one Te(4)TeAs3I square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(3)Te3As2 square pyramid. The Te(2)-Te(4) bond length is 2.94 Å. The Te(2)-Te(6) bond length is 3.22 Å. In the third Te site, Te(3) is bonded to one As(1), one As(3), one Te(1), one Te(5), and one Te(7) atom to form distorted TeTe3As2 square pyramids that share  a cornercorner with one As(5)Te4As square pyramid,  an edgeedge with one As(5)Te4As square pyramid, and  an edgeedge with one Te(2)Te2As3 square pyramid. The Te(3)-Te(5) bond length is 2.97 Å. The Te(3)-Te(7) bond length is 3.17 Å. In the fourth Te site, Te(4) is bonded to one As(2), one As(4), one As(5), one Te(2), and one I(1) atom to form TeTeAs3I square pyramids that share  a cornercorner with one As(1)Te3AsI square pyramid,  a cornercorner with one Te(2)Te2As3 square pyramid, and  an edgeedge with one As(1)Te3AsI square pyramid. The Te(4)-I(1) bond length is 3.48 Å. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one As(2), one As(3), one As(5), one Te(3), and one Te(6) atom. The Te(5)-Te(6) bond length is 3.23 Å. In the sixth Te site, Te(6) is bonded in a 3-coordinate geometry to one As(1), one As(4), one As(5), one Te(2), and one Te(5) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one As(5), one Te(1), one Te(3), and one I(1) atom. The Te(7)-I(1) bond length is 3.45 Å. I(1) is bonded in a 3-coordinate geometry to one As(1), one Te(4), and one Te(7) atom.