La2Cu2SeSO2 crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form a mixture of corner and edge-sharing CuSe2S2 tetrahedra. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Cu(1) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent Cu(1) atoms. O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.
La2Cu2SeSO2 crystallizes in the tetragonal P4mm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1) atoms. All La(1)-Se(1) bond lengths are 3.30 Å. All La(1)-O(1) bond lengths are 2.38 Å. In the second La site, La(2) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent O(1) atoms. All La(2)-S(1) bond lengths are 3.31 Å. All La(2)-O(1) bond lengths are 2.37 Å. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form a mixture of corner and edge-sharing CuSe2S2 tetrahedra. Both Cu(1)-Se(1) bond lengths are 2.54 Å. Both Cu(1)-S(1) bond lengths are 2.42 Å. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Cu(1) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent La(2) and four equivalent Cu(1) atoms. O(1) is bonded to two equivalent La(1) and two equivalent La(2) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra.