CuTaS3 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted corner-sharing CuS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ta(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing STa3Cu tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Cu(1) atom.
CuTaS3 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 6-coordinate geometry to one S(2), two equivalent S(3), and three equivalent S(1) atoms. The Ta(1)-S(2) bond length is 2.28 Å. Both Ta(1)-S(3) bond lengths are 2.43 Å. There are two shorter (2.53 Å) and one longer (2.75 Å) Ta(1)-S(1) bond length. Cu(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form distorted corner-sharing CuS4 tetrahedra. The Cu(1)-S(1) bond length is 2.28 Å. The Cu(1)-S(3) bond length is 2.27 Å. Both Cu(1)-S(2) bond lengths are 2.28 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ta(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing STa3Cu tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to two equivalent Ta(1) and one Cu(1) atom.