CeCuS2 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. Cu(1) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent Cu(1) atoms. In the second S site, S(2) is bonded to four equivalent Ce(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SCe4Cu trigonal bipyramids.
CeCuS2 crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent S(2) atoms. There are two shorter (2.90 Å) and one longer (3.08 Å) Ce(1)-S(1) bond length. There are a spread of Ce(1)-S(2) bond distances ranging from 2.84-2.92 Å. Cu(1) is bonded in a 4-coordinate geometry to one S(2) and three equivalent S(1) atoms. The Cu(1)-S(2) bond length is 2.31 Å. There are a spread of Cu(1)-S(1) bond distances ranging from 2.32-2.62 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and three equivalent Cu(1) atoms. In the second S site, S(2) is bonded to four equivalent Ce(1) and one Cu(1) atom to form a mixture of distorted edge and corner-sharing SCe4Cu trigonal bipyramids.