LiCuS crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. In the third Li site, Li(3) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one S(2) and one S(4) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one S(1) and one S(3) atom. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to one S(1) and one S(3) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one S(2) and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°.
LiCuS crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. The Li(1)-S(1) bond length is 2.48 Å. The Li(1)-S(2) bond length is 2.45 Å. The Li(1)-S(3) bond length is 2.49 Å. The Li(1)-S(4) bond length is 2.48 Å. In the second Li site, Li(2) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. The Li(2)-S(1) bond length is 2.50 Å. The Li(2)-S(2) bond length is 2.48 Å. The Li(2)-S(3) bond length is 2.47 Å. The Li(2)-S(4) bond length is 2.48 Å. In the third Li site, Li(3) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. The Li(3)-S(1) bond length is 2.48 Å. The Li(3)-S(2) bond length is 2.46 Å. The Li(3)-S(3) bond length is 2.47 Å. The Li(3)-S(4) bond length is 2.49 Å. In the fourth Li site, Li(4) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. The Li(4)-S(1) bond length is 2.48 Å. The Li(4)-S(2) bond length is 2.51 Å. The Li(4)-S(3) bond length is 2.46 Å. The Li(4)-S(4) bond length is 2.48 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one S(2) and one S(4) atom. The Cu(1)-S(2) bond length is 2.17 Å. The Cu(1)-S(4) bond length is 2.16 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one S(1) and one S(3) atom. The Cu(2)-S(1) bond length is 2.16 Å. The Cu(2)-S(3) bond length is 2.17 Å. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to one S(1) and one S(3) atom. The Cu(3)-S(1) bond length is 2.16 Å. The Cu(3)-S(3) bond length is 2.16 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one S(2) and one S(4) atom. The Cu(4)-S(2) bond length is 2.16 Å. The Cu(4)-S(4) bond length is 2.16 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the second S site, S(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-69°. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing SLi4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-70°.