Cs2AsTe3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one As(1), two equivalent Te(2), three equivalent Te(1), and three equivalent Te(3) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one As(1), one Te(2), three equivalent Te(1), and three equivalent Te(3) atoms. As(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one As(1), one Te(1), and one Te(2) atom. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one As(1) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one As(1), and one Te(3) atom. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one Te(2) atom.
Cs2AsTe3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one As(1), two equivalent Te(2), three equivalent Te(1), and three equivalent Te(3) atoms. The Cs(1)-As(1) bond length is 4.25 Å. There is one shorter (4.04 Å) and one longer (4.20 Å) Cs(1)-Te(2) bond length. There are a spread of Cs(1)-Te(1) bond distances ranging from 4.06-4.12 Å. There are a spread of Cs(1)-Te(3) bond distances ranging from 3.94-4.36 Å. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one As(1), one Te(2), three equivalent Te(1), and three equivalent Te(3) atoms. The Cs(2)-As(1) bond length is 3.89 Å. The Cs(2)-Te(2) bond length is 3.92 Å. There are a spread of Cs(2)-Te(1) bond distances ranging from 3.88-4.34 Å. There are a spread of Cs(2)-Te(3) bond distances ranging from 3.85-4.12 Å. As(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one As(1), one Te(1), and one Te(2) atom. The As(1)-As(1) bond length is 2.44 Å. The As(1)-Te(1) bond length is 2.57 Å. The As(1)-Te(2) bond length is 2.74 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one As(1) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one As(1), and one Te(3) atom. The Te(2)-Te(3) bond length is 2.77 Å. In the third Te site, Te(3) is bonded in a 7-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), and one Te(2) atom.