LiCuS crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent S(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the second S site, S(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°.
LiCuS crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. There is one shorter (2.48 Å) and one longer (2.50 Å) Li(1)-S(1) bond length. There is one shorter (2.45 Å) and one longer (2.50 Å) Li(1)-S(2) bond length. In the second Li site, Li(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. There is one shorter (2.47 Å) and one longer (2.48 Å) Li(2)-S(1) bond length. There is one shorter (2.46 Å) and one longer (2.51 Å) Li(2)-S(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent S(2) atoms. There is one shorter (2.15 Å) and one longer (2.16 Å) Cu(1)-S(2) bond length. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent S(1) atoms. There is one shorter (2.16 Å) and one longer (2.17 Å) Cu(2)-S(1) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cu(2) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the second S site, S(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 3-70°.