SmPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Sm site, Sm(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted SmS8 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 Sm(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 Sm(1), one Sm(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Sm(1), one Sm(2), and one P(1) atom.
SmPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. All Sm(1)-S(1) bond lengths are 3.04 Å. All Sm(1)-S(2) bond lengths are 2.87 Å. In the second Sm site, Sm(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted SmS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. All Sm(2)-S(1) bond lengths are 2.96 Å. All Sm(2)-S(2) bond lengths are 2.93 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 Sm(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 Sm(1), one Sm(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Sm(1), one Sm(2), and one P(1) atom.