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AlAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing AlAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Al–As bond lengths are 2.65 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Al3+ atoms.
AlAs is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Al3+ is bonded to four equivalent As3- atoms to form corner-sharing AlAs4 tetrahedra. All Al–As bond lengths are 2.48 Å. As3- is bonded to four equivalent Al3+ atoms to form corner-sharing AsAl4 tetrahedra.
AlAs is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Al3+ is bonded to four equivalent As3- atoms to form corner-sharing AlAs4 tetrahedra. There are three shorter (2.48 Å) and one longer (2.49 Å) Al–As bond lengths. As3- is bonded to four equivalent Al3+ atoms to form corner-sharing AsAl4 tetrahedra.
AlAs is High Pressure Cadmuum Telluride structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Al3+ is bonded in a linear geometry to two equivalent As3- atoms. Both Al–As bond lengths are 2.67 Å. As3- is bonded to two equivalent Al3+ and four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AsAl2As4 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All As–As bond lengths are 2.72 Å.
AlAs is Halite, Rock Salt structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Al3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing AlAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–As bond lengths are 2.65 Å. As3- is bonded to six equivalent Al3+ atoms to form a mixture of corner and edge-sharing AsAl6 octahedra. The corner-sharing octahedral tilt angles are 0°.