Materials Data on InP3 by Materials Project

Abstract

InP3 is Ilmenite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. In1+ is bonded to six equivalent P+0.33- atoms to form distorted InP6 pentagonal pyramids that share corners with six equivalent InP6 pentagonal pyramids, corners with six equivalent PIn2P2 trigonal pyramids, and edges with three equivalent PIn2P2 trigonal pyramids. There are three shorter (2.67 Å) and three longer (2.96 Å) In–P bond lengths. P+0.33- is bonded to two equivalent In1+ and two equivalent P+0.33- atoms to form distorted PIn2P2 trigonal pyramids that share corners with two equivalent InP6 pentagonal pyramids, corners with eight equivalent PIn2P2 trigonal pyramids, an edgeedge with one InP6 pentagonal pyramid, and edges with two equivalent PIn2P2 trigonal pyramids. Both P–P bond lengths are 2.22 Å.