La3YSc4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(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 ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. In the second Sc site, Sc(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 ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one Y(1), and two equivalent Sc(1) atoms to form distorted OLaYSc2 tetrahedra that share corners with two equivalent O(3)La2Sc2 tetrahedra and corners with two equivalent O(2)LaYSc2 tetrahedra. In the second O site, O(2) is bonded to one La(1), one Y(1), and two equivalent Sc(2) atoms to form distorted OLaYSc2 tetrahedra that share corners with two equivalent O(4)La2Sc2 tetrahedra and corners with two equivalent O(1)LaYSc2 tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), and two equivalent Sc(1) atoms to form distorted OLa2Sc2 tetrahedra that share corners with two equivalent O(4)La2Sc2 tetrahedra and corners with two equivalent O(1)LaYSc2 tetrahedra. In the fourth O site, O(4) is bonded to one La(2), one La(3), and two equivalent Sc(2) atoms to form distorted OLa2Sc2 tetrahedra that share corners with two equivalent O(3)La2Sc2 tetrahedra and corners with two equivalent O(2)LaYSc2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Sc(1), and one Sc(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), one La(3), one Y(1), one Sc(1), and one Sc(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(3), one Y(1), one Sc(1), and one Sc(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Y(1), one Sc(1), and one Sc(2) atom.
La3YSc4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. The La(1)-O(1) bond length is 2.40 Å. The La(1)-O(2) bond length is 2.56 Å. Both La(1)-O(5) bond lengths are 2.89 Å. Both La(1)-O(7) bond lengths are 2.41 Å. Both La(1)-O(8) bond lengths are 2.72 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. The La(2)-O(3) bond length is 2.52 Å. The La(2)-O(4) bond length is 2.38 Å. Both La(2)-O(5) bond lengths are 2.73 Å. Both La(2)-O(6) bond lengths are 2.41 Å. Both La(2)-O(8) bond lengths are 2.93 Å. In the third La site, La(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. The La(3)-O(3) bond length is 2.38 Å. The La(3)-O(4) bond length is 2.52 Å. Both La(3)-O(5) bond lengths are 2.40 Å. Both La(3)-O(6) bond lengths are 2.70 Å. Both La(3)-O(7) bond lengths are 2.94 Å. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. The Y(1)-O(1) bond length is 2.39 Å. The Y(1)-O(2) bond length is 2.27 Å. Both Y(1)-O(6) bond lengths are 2.88 Å. Both Y(1)-O(7) bond lengths are 2.65 Å. Both Y(1)-O(8) bond lengths are 2.32 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(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 ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-36°. The Sc(1)-O(1) bond length is 2.11 Å. The Sc(1)-O(3) bond length is 2.15 Å. The Sc(1)-O(5) bond length is 2.11 Å. The Sc(1)-O(6) bond length is 2.13 Å. The Sc(1)-O(7) bond length is 2.10 Å. The Sc(1)-O(8) bond length is 2.17 Å. In the second Sc site, Sc(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 ScO6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. The Sc(2)-O(2) bond length is 2.14 Å. The Sc(2)-O(4) bond length is 2.15 Å. The Sc(2)-O(5) bond length is 2.13 Å. The Sc(2)-O(6) bond length is 2.11 Å. The Sc(2)-O(7) bond length is 2.12 Å. The Sc(2)-O(8) bond length is 2.14 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one Y(1), and two equivalent Sc(1) atoms to form distorted OLaYSc2 tetrahedra that share corners with two equivalent O(3)La2Sc2 tetrahedra and corners with two equivalent O(2)LaYSc2 tetrahedra. In the second O site, O(2) is bonded to one La(1), one Y(1), and two equivalent Sc(2) atoms to form distorted OLaYSc2 tetrahedra that share corners with two equivalent O(4)La2Sc2 tetrahedra and corners with two equivalent O(1)LaYSc2 tetrahedra. In the third O site, O(3) is bonded to one La(2), one La(3), and two equivalent Sc(1) atoms to form distorted OLa2Sc2 tetrahedra that share corners with two equivalent O(4)La2Sc2 tetrahedra and corners with two equivalent O(1)LaYSc2 tetrahedra. In the fourth O site, O(4) is bonded to one La(2), one La(3), and two equivalent Sc(2) atoms to form distorted OLa2Sc2 tetrahedra that share corners with two equivalent O(3)La2Sc2 tetrahedra and corners with two equivalent O(2)LaYSc2 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Sc(1), and one Sc(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), one La(3), one Y(1), one Sc(1), and one Sc(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(1), one La(3), one Y(1), one Sc(1), and one Sc(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one La(1), one La(2), one Y(1), one Sc(1), and one Sc(2) atom.