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AlP is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Al3+ is bonded to four equivalent P3- atoms to form corner-sharing AlP4 tetrahedra. All Al–P bond lengths are 2.38 Å. P3- is bonded to four equivalent Al3+ atoms to form corner-sharing PAl4 tetrahedra.
AlP is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Al3+ is bonded to four equivalent P3- atoms to form corner-sharing AlP4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.39 Å) Al–P bond lengths. P3- is bonded to four equivalent Al3+ atoms to form corner-sharing PAl4 tetrahedra.
Al3P is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al is bonded to eight equivalent Al and four equivalent P atoms to form distorted AlAl8P4 cuboctahedra that share corners with four equivalent PAl12 cuboctahedra, corners with fourteen equivalent AlAl8P4 cuboctahedra, edges with six equivalent PAl12 cuboctahedra, edges with twelve equivalent AlAl8P4 cuboctahedra, faces with four equivalent PAl12 cuboctahedra, and faces with sixteen equivalent AlAl8P4 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.77–2.89 Å. There are two shorter (2.81 Å) and two longer (2.87 Å) Al–P bond lengths. P is bonded to twelve equivalent Al atoms to form PAl12 cuboctahedra that share corners with six equivalent PAl12 cuboctahedra, corners with twelve equivalent AlAl8P4 cuboctahedra, edges with eighteen equivalent AlAl8P4 cuboctahedra, faces with eight equivalent PAl12 cuboctahedra, and faces with twelve equivalent AlAl8P4 cuboctahedra.