Materials Data on In2AsP by Materials Project
In2AsP is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to one As3- and three equivalent P3- atoms to form corner-sharing InAsP3 tetrahedra. The In–As bond length is 2.68 Å. All In–P bond lengths are 2.62 Å. In the second In3+ site, In3+ is bonded to three equivalent As3- and one P3- atom to form corner-sharing InAs3P tetrahedra. All In–As bond lengths are 2.65 Å. The In–P bond length is 2.59 Å. As3- is bonded to four In3+ atoms to form AsIn4 tetrahedra that share corners with six equivalent AsIn4 tetrahedra and corners with six equivalent PIn4 tetrahedra. P3- is bonded to four In3+ atoms to form PIn4 tetrahedra that share corners with six equivalent AsIn4 tetrahedra and corners with six equivalent PIn4 tetrahedra.