PrPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Pr site, Pr(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted PrS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Pr(2)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one P(1) atom.
PrPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. All Pr(1)-S(1) bond lengths are 3.07 Å. All Pr(1)-S(2) bond lengths are 2.93 Å. In the second Pr site, Pr(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted PrS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. All Pr(2)-S(1) bond lengths are 3.02 Å. All Pr(2)-S(2) bond lengths are 2.97 Å. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share edges with two equivalent Pr(2)S8 hexagonal bipyramids. Both P(1)-S(1) bond lengths are 2.04 Å. Both P(1)-S(2) bond lengths are 2.03 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one P(1) atom.