Materials Data on InAs by Materials Project
InAs crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to five As3- atoms to form distorted InAs5 trigonal bipyramids that share corners with five equivalent InAs5 trigonal bipyramids, edges with four equivalent InAs6 octahedra, and edges with four equivalent InAs5 trigonal bipyramids. There are a spread of In–As bond distances ranging from 2.84–3.07 Å. In the second In3+ site, In3+ is bonded to six As3- atoms to form InAs6 octahedra that share corners with four equivalent InAs6 octahedra, edges with four equivalent InAs6 octahedra, and edges with eight equivalent InAs5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of In–As bond distances ranging from 2.86–3.15 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to five In3+ and one As3- atom. The As–As bond length is 2.53 Å. In the second As3- site, As3- is bonded to six In3+ atoms to form a mixture of edge and corner-sharing AsIn6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.