Sm3LaCr4O12 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 Cr sites. In the first Cr site, Cr(1) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second Cr site, Cr(2) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. 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 Cr(1), and one Cr(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 Cr(1), and one Cr(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 Cr(1), and one Cr(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 Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OLaSmCr2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(2) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted OSm2Cr2 tetrahedra that share corners with two equivalent O(6)LaSmCr2 tetrahedra and corners with two equivalent O(7)Sm2Cr2 tetrahedra.
Sm3LaCr4O12 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 2.40 Å. Both Sm(1)-O(1) bond lengths are 2.36 Å. Both Sm(1)-O(2) bond lengths are 2.57 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 2.40 Å. The Sm(2)-O(8) bond length is 2.32 Å. Both Sm(2)-O(2) bond lengths are 2.74 Å. Both Sm(2)-O(3) bond lengths are 2.54 Å. Both Sm(2)-O(4) bond lengths are 2.36 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 2.41 Å. Both Sm(3)-O(1) bond lengths are 2.72 Å. Both Sm(3)-O(3) bond lengths are 2.37 Å. Both Sm(3)-O(4) bond lengths are 2.56 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 2.52 Å. The La(1)-O(6) bond length is 2.37 Å. Both La(1)-O(1) bond lengths are 2.66 Å. Both La(1)-O(2) bond lengths are 2.39 Å. Both La(1)-O(4) bond lengths are 2.79 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. The Cr(1)-O(1) bond length is 2.03 Å. The Cr(1)-O(2) bond length is 2.01 Å. The Cr(1)-O(3) bond length is 2.04 Å. The Cr(1)-O(4) bond length is 2.02 Å. The Cr(1)-O(6) bond length is 2.03 Å. The Cr(1)-O(8) bond length is 2.01 Å. In the second Cr site, Cr(2) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-32°. The Cr(2)-O(1) bond length is 2.02 Å. The Cr(2)-O(2) bond length is 2.02 Å. The Cr(2)-O(3) bond length is 2.03 Å. The Cr(2)-O(4) bond length is 2.03 Å. The Cr(2)-O(5) bond length is 2.04 Å. The Cr(2)-O(7) bond length is 2.01 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 Cr(1), and one Cr(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 Cr(1), and one Cr(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 Cr(1), and one Cr(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 Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one La(1), and two equivalent Cr(2) atoms. In the sixth O site, O(6) is bonded to one Sm(1), one La(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OLaSmCr2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(2) atoms to form distorted corner-sharing OSm2Cr2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(2), one Sm(3), and two equivalent Cr(1) atoms to form distorted OSm2Cr2 tetrahedra that share corners with two equivalent O(6)LaSmCr2 tetrahedra and corners with two equivalent O(7)Sm2Cr2 tetrahedra.