CeS2 crystallizes in the orthorhombic Pna2_1 space group. Ce(1,2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1,2) and one S(2) atom. In the second S site, S(2) is bonded to four equivalent Ce(1,2) and one S(1) atom to form distorted SCe4S trigonal bipyramids that share corners with six equivalent S(3)Ce5 trigonal bipyramids, corners with six equivalent S(4)Ce5 trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(3)Ce5 trigonal bipyramids, and edges with two equivalent S(4)Ce5 trigonal bipyramids. In the third S site, S(3) is bonded to five equivalent Ce(1,2) atoms to form distorted SCe5 trigonal bipyramids that share corners with four equivalent S(3)Ce5 trigonal bipyramids, corners with six equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with four equivalent S(3)Ce5 trigonal bipyramids, and edges with four equivalent S(4)Ce5 trigonal bipyramids. In the fourth S site, S(4) is bonded to five equivalent Ce(1,2) atoms to form distorted SCe5 trigonal bipyramids that share corners with four equivalent S(4)Ce5 trigonal bipyramids, corners with six equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with four equivalent S(3)Ce5 trigonal bipyramids, and edges with four equivalent S(4)Ce5 trigonal bipyramids.
CeS2 crystallizes in the orthorhombic Pna2_1 space group. Ce(1,2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. The Ce(1,2)-S(4) bond length is 2.91 Å. There is one shorter (2.90 Å) and one longer (3.23 Å) Ce(1,2)-S(1) bond length. There is one shorter (3.01 Å) and one longer (3.11 Å) Ce(1,2)-S(2) bond length. There are a spread of Ce(1,2)-S(3) bond distances ranging from 2.88-3.11 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Ce(1,2) and one S(2) atom. The S(1)-S(2) bond length is 2.09 Å. In the second S site, S(2) is bonded to four equivalent Ce(1,2) and one S(1) atom to form distorted SCe4S trigonal bipyramids that share corners with six equivalent S(3)Ce5 trigonal bipyramids, corners with six equivalent S(4)Ce5 trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(3)Ce5 trigonal bipyramids, and edges with two equivalent S(4)Ce5 trigonal bipyramids. In the third S site, S(3) is bonded to five equivalent Ce(1,2) atoms to form distorted SCe5 trigonal bipyramids that share corners with four equivalent S(3)Ce5 trigonal bipyramids, corners with six equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with four equivalent S(3)Ce5 trigonal bipyramids, and edges with four equivalent S(4)Ce5 trigonal bipyramids. In the fourth S site, S(4) is bonded to five equivalent Ce(1,2) atoms to form distorted SCe5 trigonal bipyramids that share corners with four equivalent S(4)Ce5 trigonal bipyramids, corners with six equivalent S(2)Ce4S trigonal bipyramids, edges with two equivalent S(2)Ce4S trigonal bipyramids, edges with four equivalent S(3)Ce5 trigonal bipyramids, and edges with four equivalent S(4)Ce5 trigonal bipyramids.