Materials Data on InGaP2 by Materials Project

Abstract

InGaP2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. In3+ is bonded to four P3- atoms to form InP4 tetrahedra that share corners with six equivalent InP4 tetrahedra and corners with six equivalent GaP4 tetrahedra. There are three shorter (2.52 Å) and one longer (2.58 Å) In–P bond lengths. Ga3+ is bonded to four P3- atoms to form GaP4 tetrahedra that share corners with six equivalent InP4 tetrahedra and corners with six equivalent GaP4 tetrahedra. There are one shorter (2.38 Å) and three longer (2.45 Å) Ga–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three equivalent In3+ and one Ga3+ atom to form corner-sharing PIn3Ga tetrahedra. In the second P3- site, P3- is bonded to one In3+ and three equivalent Ga3+ atoms to form corner-sharing PInGa3 tetrahedra.