Al2BiSe4 crystallizes in the tetragonal P4/nnc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Se(1) atoms to form edge-sharing AlSe4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent Se(1) atoms to form edge-sharing AlSe4 tetrahedra. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se(1) atoms. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one Bi(1) atom.
Al2BiSe4 crystallizes in the tetragonal P4/nnc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Se(1) atoms to form edge-sharing AlSe4 tetrahedra. All Al(1)-Se(1) bond lengths are 2.41 Å. In the second Al site, Al(2) is bonded to four equivalent Se(1) atoms to form edge-sharing AlSe4 tetrahedra. All Al(2)-Se(1) bond lengths are 2.40 Å. Bi(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se(1) atoms. All Bi(1)-Se(1) bond lengths are 2.97 Å. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one Bi(1) atom.