Sm3La(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one La(1), and two equivalent Fe(1) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Fe(2) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(1) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(2) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra.
Sm3La(FeO3)4 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Sm(1)-O(5) bond length is 2.32 Å. The Sm(1)-O(6) bond length is 2.39 Å. Both Sm(1)-O(1) bond lengths are 2.35 Å. Both Sm(1)-O(2) bond lengths are 2.60 Å. Both Sm(1)-O(3) bond lengths are 2.78 Å. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Sm(2)-O(7) bond length is 2.39 Å. The Sm(2)-O(8) bond length is 2.32 Å. Both Sm(2)-O(2) bond lengths are 2.72 Å. Both Sm(2)-O(3) bond lengths are 2.56 Å. Both Sm(2)-O(4) bond lengths are 2.37 Å. In the third Sm site, Sm(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Sm(3)-O(7) bond length is 2.32 Å. The Sm(3)-O(8) bond length is 2.39 Å. Both Sm(3)-O(1) bond lengths are 2.71 Å. Both Sm(3)-O(3) bond lengths are 2.37 Å. Both Sm(3)-O(4) bond lengths are 2.59 Å. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The La(1)-O(5) bond length is 2.50 Å. The La(1)-O(6) bond length is 2.39 Å. Both La(1)-O(1) bond lengths are 2.68 Å. Both La(1)-O(2) bond lengths are 2.39 Å. Both La(1)-O(4) bond lengths are 2.78 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. The Fe(1)-O(1) bond length is 2.04 Å. The Fe(1)-O(2) bond length is 2.06 Å. The Fe(1)-O(3) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.07 Å. The Fe(1)-O(5) bond length is 2.05 Å. The Fe(1)-O(7) bond length is 2.03 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(2) bond length is 2.03 Å. The Fe(2)-O(3) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 2.04 Å. The Fe(2)-O(6) bond length is 2.04 Å. The Fe(2)-O(8) bond length is 2.02 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one La(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one La(1), one Fe(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded to one Sm(1), one La(1), and two equivalent Fe(1) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Fe(2) atoms to form distorted OLaSmFe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(1) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(5)LaSmFe2 tetrahedra and corners with two equivalent O(8)Sm2Fe2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Fe(2) atoms to form distorted OSm2Fe2 tetrahedra that share corners with two equivalent O(6)LaSmFe2 tetrahedra and corners with two equivalent O(7)Sm2Fe2 tetrahedra.