InPS4 crystallizes in the tetragonal I-4 space group. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra. P(1) is bonded to four equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra. S(1) is bonded in a water-like geometry to one In(1) and one P(1) atom.
InPS4 crystallizes in the tetragonal I-4 space group. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent P(1)S4 tetrahedra. All In(1)-S(1) bond lengths are 2.50 Å. P(1) is bonded to four equivalent S(1) atoms to form PS4 tetrahedra that share corners with four equivalent In(1)S4 tetrahedra. All P(1)-S(1) bond lengths are 2.04 Å. S(1) is bonded in a water-like geometry to one In(1) and one P(1) atom.