YPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Y site, Y(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted YS8 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 Y(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 Y(1), one Y(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one P(1) atom.
YPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. All Y(1)-S(1) bond lengths are 3.01 Å. All Y(1)-S(2) bond lengths are 2.82 Å. In the second Y site, Y(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted YS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. All Y(2)-S(1) bond lengths are 2.91 Å. All Y(2)-S(2) bond lengths are 2.90 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 Y(2)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 3-coordinate geometry to one Y(1), one Y(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Y(1), one Y(2), and one P(1) atom.