Li2Cu4S3 is Brookite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one S(2), and two equivalent S(1) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(2) and 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 Cu(1), and two equivalent Cu(2) atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Li(1), two equivalent Cu(1), and two equivalent Cu(2) atoms.
Li2Cu4S3 is Brookite-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1), two equivalent S(1), and two equivalent S(2) atoms. There is one shorter (2.71 Å) and one longer (2.77 Å) Li(1)-Cu(1) bond length. There is one shorter (2.44 Å) and one longer (2.47 Å) Li(1)-S(1) bond length. There is one shorter (2.47 Å) and one longer (2.94 Å) Li(1)-S(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one S(2), and two equivalent S(1) atoms. The Cu(1)-S(2) bond length is 2.26 Å. There is one shorter (2.29 Å) and one longer (2.37 Å) Cu(1)-S(1) bond length. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(1) atoms. The Cu(2)-S(2) bond length is 2.35 Å. Both Cu(2)-S(1) bond lengths are 2.31 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1), two equivalent Cu(1), and two equivalent Cu(2) atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Li(1), two equivalent Cu(1), and two equivalent Cu(2) atoms.