PrS2 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), and five equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Pr(1) atoms to form distorted SPr5 trigonal bipyramids that share corners with four equivalent S(1)Pr5 trigonal bipyramids, corners with six equivalent S(2)Pr4S trigonal bipyramids, corners with six equivalent S(3)Pr4S trigonal bipyramids, edges with two equivalent S(2)Pr4S trigonal bipyramids, edges with two equivalent S(3)Pr4S trigonal bipyramids, and edges with eight equivalent S(1)Pr5 trigonal bipyramids. In the second S site, S(3) is bonded to four equivalent Pr(1) and one S(2) atom to form distorted SPr4S trigonal bipyramids that share corners with twelve equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(3)Pr4S trigonal bipyramids, edges with four equivalent S(2)Pr4S trigonal bipyramids, and edges with four equivalent S(1)Pr5 trigonal bipyramids. In the third S site, S(2) is bonded to four equivalent Pr(1) and one S(3) atom to form distorted SPr4S trigonal bipyramids that share corners with twelve equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(2)Pr4S trigonal bipyramids, edges with four equivalent S(3)Pr4S trigonal bipyramids, and edges with four equivalent S(1)Pr5 trigonal bipyramids.
PrS2 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), and five equivalent S(1) atoms. There is one shorter (3.02 Å) and one longer (3.11 Å) Pr(1)-S(2) bond length. There is one shorter (2.91 Å) and one longer (3.21 Å) Pr(1)-S(3) bond length. There are a spread of Pr(1)-S(1) bond distances ranging from 2.89-3.12 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Pr(1) atoms to form distorted SPr5 trigonal bipyramids that share corners with four equivalent S(1)Pr5 trigonal bipyramids, corners with six equivalent S(2)Pr4S trigonal bipyramids, corners with six equivalent S(3)Pr4S trigonal bipyramids, edges with two equivalent S(2)Pr4S trigonal bipyramids, edges with two equivalent S(3)Pr4S trigonal bipyramids, and edges with eight equivalent S(1)Pr5 trigonal bipyramids. In the second S site, S(3) is bonded to four equivalent Pr(1) and one S(2) atom to form distorted SPr4S trigonal bipyramids that share corners with twelve equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(3)Pr4S trigonal bipyramids, edges with four equivalent S(2)Pr4S trigonal bipyramids, and edges with four equivalent S(1)Pr5 trigonal bipyramids. The S(3)-S(2) bond length is 2.10 Å. In the third S site, S(2) is bonded to four equivalent Pr(1) and one S(3) atom to form distorted SPr4S trigonal bipyramids that share corners with twelve equivalent S(1)Pr5 trigonal bipyramids, edges with two equivalent S(2)Pr4S trigonal bipyramids, edges with four equivalent S(3)Pr4S trigonal bipyramids, and edges with four equivalent S(1)Pr5 trigonal bipyramids.