GdPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted GdS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. 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 Gd(1)S8 hexagonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Gd(1), one Gd(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one P(1) atom.
GdPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted GdS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. All Gd(1)-S(1) bond lengths are 2.92 Å. All Gd(1)-S(2) bond lengths are 2.93 Å. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. All Gd(2)-S(1) bond lengths are 2.85 Å. All Gd(2)-S(2) bond lengths are 3.02 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 Gd(1)S8 hexagonal bipyramids. Both P(1)-S(1) bond lengths are 2.03 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 distorted T-shaped geometry to one Gd(1), one Gd(2), and one P(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one P(1) atom.