AlSiP3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form AlP6 octahedra that share corners with six equivalent Al(1)P6 octahedra, corners with four equivalent P(2)Al2SiP tetrahedra, and corners with eight equivalent Si(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-64°. Si(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form SiP4 tetrahedra that share corners with eight equivalent Al(1)P6 octahedra, corners with two equivalent Si(1)P4 tetrahedra, and corners with two equivalent P(2)Al2SiP tetrahedra. The corner-sharing octahedral tilt angles range from 56-83°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Al(1) and two equivalent Si(1) atoms to form PAl2Si2 tetrahedra that share corners with four equivalent P(1)Al2Si2 tetrahedra and corners with twelve equivalent P(2)Al2SiP tetrahedra. In the second P site, P(2) is bonded to two equivalent Al(1), one Si(1), and one P(2) atom to form distorted PAl2SiP tetrahedra that share corners with two equivalent Al(1)P6 octahedra,  a cornercorner with one Si(1)P4 tetrahedra, corners with six equivalent P(1)Al2Si2 tetrahedra, and corners with seven equivalent P(2)Al2SiP tetrahedra. The corner-sharing octahedral tilt angles range from 73-74°.
AlSiP3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form AlP6 octahedra that share corners with six equivalent Al(1)P6 octahedra, corners with four equivalent P(2)Al2SiP tetrahedra, and corners with eight equivalent Si(1)P4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-64°. Both Al(1)-P(1) bond lengths are 2.62 Å. There are two shorter (2.46 Å) and two longer (2.56 Å) Al(1)-P(2) bond lengths. Si(1) is bonded to two equivalent P(1) and two equivalent P(2) atoms to form SiP4 tetrahedra that share corners with eight equivalent Al(1)P6 octahedra, corners with two equivalent Si(1)P4 tetrahedra, and corners with two equivalent P(2)Al2SiP tetrahedra. The corner-sharing octahedral tilt angles range from 56-83°. There is one shorter (2.25 Å) and one longer (2.29 Å) Si(1)-P(1) bond length. Both Si(1)-P(2) bond lengths are 2.26 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Al(1) and two equivalent Si(1) atoms to form PAl2Si2 tetrahedra that share corners with four equivalent P(1)Al2Si2 tetrahedra and corners with twelve equivalent P(2)Al2SiP tetrahedra. In the second P site, P(2) is bonded to two equivalent Al(1), one Si(1), and one P(2) atom to form distorted PAl2SiP tetrahedra that share corners with two equivalent Al(1)P6 octahedra,  a cornercorner with one Si(1)P4 tetrahedra, corners with six equivalent P(1)Al2Si2 tetrahedra, and corners with seven equivalent P(2)Al2SiP tetrahedra. The corner-sharing octahedral tilt angles range from 73-74°. The P(2)-P(2) bond length is 2.19 Å.