CsCd4As3 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. Cd(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Cs(1) and four equivalent Cd(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Cd(1) atoms.
CsCd4As3 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. All Cs(1)-As(1) bond lengths are 3.91 Å. Cd(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. Both Cd(1)-As(1) bond lengths are 2.71 Å. Both Cd(1)-As(2) bond lengths are 2.88 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Cs(1) and four equivalent Cd(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to eight equivalent Cd(1) atoms.