CdGa2Se4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(2) atom.
CdGa2Se4 crystallizes in the tetragonal I-4 space group. Cd(1) is bonded to four equivalent Se(1) atoms to form CdSe4 tetrahedra that share corners with four equivalent Ga(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. All Cd(1)-Se(1) bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent Ga(2)Se4 tetrahedra. All Ga(1)-Se(1) bond lengths are 2.43 Å. In the second Ga site, Ga(2) is bonded to four equivalent Se(1) atoms to form GaSe4 tetrahedra that share corners with four equivalent Cd(1)Se4 tetrahedra and corners with four equivalent Ga(1)Se4 tetrahedra. All Ga(2)-Se(1) bond lengths are 2.42 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(2) atom.