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InAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. In3+ is bonded to four equivalent As3- atoms to form corner-sharing InAs4 tetrahedra. All In–As bond lengths are 2.68 Å. As3- is bonded to four equivalent In3+ atoms to form corner-sharing AsIn4 tetrahedra.
InAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. In3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing InAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–As bond lengths are 2.88 Å. As3- is bonded to six equivalent In3+ atoms to form a mixture of edge and corner-sharing AsIn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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°.
In3As is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In1+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All In–As bond lengths are 3.30 Å. As3- is bonded to twelve equivalent In1+ atoms to form a mixture of face and corner-sharing AsIn12 cuboctahedra.
InAs is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. In3+ is bonded to four equivalent As3- atoms to form corner-sharing InAs4 tetrahedra. There are three shorter (2.68 Å) and one longer (2.69 Å) In–As bond lengths. As3- is bonded to four equivalent In3+ atoms to form corner-sharing AsIn4 tetrahedra.