Materials Data on InPS4 by Materials Project
InPS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent PS4 tetrahedra. All In–S bond lengths are 2.53 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share corners with four equivalent InS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in a water-like geometry to one In3+ and one P5+ atom.
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