HoPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. In the second Ho site, Ho(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted HoS8 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 Ho(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 Ho(1), one Ho(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ho(1), one Ho(2), and one P(1) atom.
HoPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. All Ho(1)-S(1) bond lengths are 3.00 Å. All Ho(1)-S(2) bond lengths are 2.80 Å. In the second Ho site, Ho(2) is bonded to four equivalent S(1) and four equivalent S(2) atoms to form distorted HoS8 hexagonal bipyramids that share edges with four equivalent P(1)S4 tetrahedra. All Ho(2)-S(1) bond lengths are 2.88 Å. All Ho(2)-S(2) bond lengths are 2.89 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 Ho(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 Ho(1), one Ho(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Ho(1), one Ho(2), and one P(1) atom.