Gd3SmAl4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Sm(1), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Al(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom.
Gd3SmAl4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. The Gd(1)-O(1) bond length is 2.32 Å. The Gd(1)-O(2) bond length is 2.39 Å. Both Gd(1)-O(5) bond lengths are 2.35 Å. Both Gd(1)-O(6) bond lengths are 2.54 Å. Both Gd(1)-O(7) bond lengths are 2.63 Å. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. The Gd(2)-O(3) bond length is 2.40 Å. The Gd(2)-O(4) bond length is 2.32 Å. Both Gd(2)-O(6) bond lengths are 2.62 Å. Both Gd(2)-O(7) bond lengths are 2.53 Å. Both Gd(2)-O(8) bond lengths are 2.35 Å. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. The Gd(3)-O(3) bond length is 2.32 Å. The Gd(3)-O(4) bond length is 2.39 Å. Both Gd(3)-O(5) bond lengths are 2.63 Å. Both Gd(3)-O(7) bond lengths are 2.35 Å. Both Gd(3)-O(8) bond lengths are 2.54 Å. Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. The Sm(1)-O(1) bond length is 2.43 Å. The Sm(1)-O(2) bond length is 2.34 Å. Both Sm(1)-O(5) bond lengths are 2.54 Å. Both Sm(1)-O(6) bond lengths are 2.36 Å. Both Sm(1)-O(8) bond lengths are 2.63 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 24-25°. The Al(1)-O(1) bond length is 1.93 Å. The Al(1)-O(3) bond length is 1.92 Å. The Al(1)-O(5) bond length is 1.92 Å. The Al(1)-O(6) bond length is 1.93 Å. The Al(1)-O(7) bond length is 1.92 Å. The Al(1)-O(8) bond length is 1.93 Å. In the second Al site, Al(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. The Al(2)-O(2) bond length is 1.92 Å. The Al(2)-O(4) bond length is 1.92 Å. The Al(2)-O(5) bond length is 1.94 Å. The Al(2)-O(6) bond length is 1.92 Å. The Al(2)-O(7) bond length is 1.94 Å. The Al(2)-O(8) bond length is 1.92 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Gd(1), one Sm(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(2), one Gd(3), and two equivalent Al(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Sm(1), one Al(1), and one Al(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Gd(1), one Gd(2), one Gd(3), one Al(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Gd(2), one Gd(3), one Sm(1), one Al(1), and one Al(2) atom.