Cd3As2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. In the third Cd site, Cd(3) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are three inequivalent As sites. In the first As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the second As site, As(3) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the third As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms.
Cd3As2 crystallizes in the tetragonal P4_2/nmc space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. The Cd(1)-As(2) bond length is 2.61 Å. The Cd(1)-As(3) bond length is 2.61 Å. Both Cd(1)-As(1) bond lengths are 2.89 Å. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. The Cd(2)-As(2) bond length is 2.64 Å. The Cd(2)-As(3) bond length is 3.13 Å. Both Cd(2)-As(1) bond lengths are 2.70 Å. In the third Cd site, Cd(3) is bonded to one As(2), one As(3), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. The Cd(3)-As(2) bond length is 3.09 Å. The Cd(3)-As(3) bond length is 2.66 Å. Both Cd(3)-As(1) bond lengths are 2.69 Å. There are three inequivalent As sites. In the first As site, As(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the second As site, As(3) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms. In the third As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Cd(2), and two equivalent Cd(3) atoms.