La2Fe2O3Se2 crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.
La2Fe2O3Se2 crystallizes in the tetragonal I4/mmm space group. La(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(2) atoms. All La(1)-Se(1) bond lengths are 3.36 Å. All La(1)-O(2) bond lengths are 2.39 Å. Fe(1) is bonded in a distorted linear geometry to four equivalent Se(1) and two equivalent O(1) atoms. All Fe(1)-Se(1) bond lengths are 2.77 Å. Both Fe(1)-O(1) bond lengths are 2.06 Å. Se(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Fe(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.