CsTi2(CuTe4)2 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 9-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), two equivalent Te(4), and two equivalent Te(8) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(2), one Te(1), one Te(7), two equivalent Te(4), and two equivalent Te(6) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), one Te(8), two equivalent Te(3), and two equivalent Te(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(2), two equivalent Cu(2), one Te(1), one Te(3), and two equivalent Te(2) atoms. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(2), one Te(4), and two equivalent Te(1) atoms. There are eight inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Ti(1), one Cu(1), and two equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(2), one Cu(2), and two equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ti(2), and one Cu(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ti(1), and one Cu(2) atom. In the fifth Te site, Te(5) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent Ti(2) atoms. In the sixth Te site, Te(6) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) atoms. In the seventh Te site, Te(7) is bonded in a distorted single-bond geometry to one Ti(1) atom. In the eighth Te site, Te(8) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Ti(2) atom.
CsTi2(CuTe4)2 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a 9-coordinate geometry to one Te(5), two equivalent Te(1), two equivalent Te(3), two equivalent Te(4), and two equivalent Te(8) atoms. The Cs(1)-Te(5) bond length is 4.05 Å. Both Cs(1)-Te(1) bond lengths are 3.86 Å. Both Cs(1)-Te(3) bond lengths are 3.89 Å. Both Cs(1)-Te(4) bond lengths are 3.93 Å. Both Cs(1)-Te(8) bond lengths are 3.97 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 8-coordinate geometry to two equivalent Cu(2), one Te(1), one Te(7), two equivalent Te(4), and two equivalent Te(6) atoms. Both Ti(1)-Cu(2) bond lengths are 3.11 Å. The Ti(1)-Te(1) bond length is 2.67 Å. The Ti(1)-Te(7) bond length is 2.89 Å. Both Ti(1)-Te(4) bond lengths are 2.75 Å. Both Ti(1)-Te(6) bond lengths are 2.91 Å. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent Cu(1), one Te(2), one Te(8), two equivalent Te(3), and two equivalent Te(5) atoms. Both Ti(2)-Cu(1) bond lengths are 3.05 Å. The Ti(2)-Te(2) bond length is 2.66 Å. The Ti(2)-Te(8) bond length is 2.93 Å. Both Ti(2)-Te(3) bond lengths are 2.75 Å. Both Ti(2)-Te(5) bond lengths are 2.90 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to two equivalent Ti(2), two equivalent Cu(2), one Te(1), one Te(3), and two equivalent Te(2) atoms. Both Cu(1)-Cu(2) bond lengths are 2.83 Å. The Cu(1)-Te(1) bond length is 2.69 Å. The Cu(1)-Te(3) bond length is 2.60 Å. Both Cu(1)-Te(2) bond lengths are 2.66 Å. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent Cu(1), one Te(2), one Te(4), and two equivalent Te(1) atoms. The Cu(2)-Te(2) bond length is 2.66 Å. The Cu(2)-Te(4) bond length is 2.58 Å. Both Cu(2)-Te(1) bond lengths are 2.64 Å. There are eight inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), one Ti(1), one Cu(1), and two equivalent Cu(2) atoms. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ti(2), one Cu(2), and two equivalent Cu(1) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ti(2), and one Cu(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Cs(1), two equivalent Ti(1), and one Cu(2) atom. In the fifth Te site, Te(5) is bonded in a distorted L-shaped geometry to one Cs(1) and two equivalent Ti(2) atoms. In the sixth Te site, Te(6) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) atoms. In the seventh Te site, Te(7) is bonded in a distorted single-bond geometry to one Ti(1) atom. In the eighth Te site, Te(8) is bonded in a 1-coordinate geometry to two equivalent Cs(1) and one Ti(2) atom.