Cd3Al2N4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing AlN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), two equivalent Cd(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing NAl2Cd3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Al(1) atoms.
Cd3Al2N4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.21 Å) and one longer (2.45 Å) Cd(1)-N(1) bond length. There is one shorter (2.26 Å) and one longer (2.66 Å) Cd(1)-N(2) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Both Cd(2)-N(1) bond lengths are 2.43 Å. There are two shorter (2.56 Å) and two longer (2.67 Å) Cd(2)-N(2) bond lengths. Al(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing AlN4 tetrahedra. There is one shorter (1.90 Å) and one longer (1.94 Å) Al(1)-N(1) bond length. There is one shorter (1.90 Å) and one longer (1.92 Å) Al(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cd(2), two equivalent Cd(1), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing NAl2Cd3 trigonal bipyramids. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Al(1) atoms.