LaY3Sc4O12 crystallizes in the monoclinic Pm space group. La(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 three inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y site, Y(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. 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 35-43°. 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 35-44°. 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 trigonal pyramids that share corners with two equivalent O(2)LaYSc2 trigonal pyramids and corners with two equivalent O(3)Y2Sc2 trigonal pyramids. 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 trigonal pyramids that share corners with two equivalent O(1)LaYSc2 trigonal pyramids and corners with two equivalent O(4)Y2Sc2 trigonal pyramids. In the third O site, O(3) is bonded to one Y(2), one Y(3), and two equivalent Sc(1) atoms to form distorted OY2Sc2 trigonal pyramids that share corners with two equivalent O(1)LaYSc2 trigonal pyramids and corners with two equivalent O(4)Y2Sc2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Y(2), one Y(3), and two equivalent Sc(2) atoms to form distorted OY2Sc2 trigonal pyramids that share corners with two equivalent O(2)LaYSc2 trigonal pyramids and corners with two equivalent O(3)Y2Sc2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Y(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(1), one Y(2), one Y(3), 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 Y(1), one Y(3), 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 Y(1), one Y(2), one Sc(1), and one Sc(2) atom.
LaY3Sc4O12 crystallizes in the monoclinic Pm space group. La(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 La(1)-O(1) bond length is 2.49 Å. The La(1)-O(2) bond length is 2.36 Å. Both La(1)-O(6) bond lengths are 2.91 Å. Both La(1)-O(7) bond lengths are 2.69 Å. Both La(1)-O(8) bond lengths are 2.37 Å. There are three inequivalent Y sites. In the first Y site, Y(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 Y(1)-O(1) bond length is 2.25 Å. The Y(1)-O(2) bond length is 2.34 Å. Both Y(1)-O(5) bond lengths are 2.95 Å. Both Y(1)-O(7) bond lengths are 2.29 Å. Both Y(1)-O(8) bond lengths are 2.58 Å. In the second Y site, Y(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 Y(2)-O(3) bond length is 2.35 Å. The Y(2)-O(4) bond length is 2.26 Å. Both Y(2)-O(5) bond lengths are 2.55 Å. Both Y(2)-O(6) bond lengths are 2.29 Å. Both Y(2)-O(8) bond lengths are 2.87 Å. In the third Y site, Y(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 Y(3)-O(3) bond length is 2.24 Å. The Y(3)-O(4) bond length is 2.35 Å. Both Y(3)-O(5) bond lengths are 2.30 Å. Both Y(3)-O(6) bond lengths are 2.61 Å. Both Y(3)-O(7) bond lengths are 2.84 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 35-43°. The Sc(1)-O(1) bond length is 2.17 Å. The Sc(1)-O(3) bond length is 2.13 Å. The Sc(1)-O(5) bond length is 2.10 Å. The Sc(1)-O(6) bond length is 2.13 Å. The Sc(1)-O(7) bond length is 2.11 Å. The Sc(1)-O(8) bond length is 2.11 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 35-44°. The Sc(2)-O(2) bond length is 2.14 Å. The Sc(2)-O(4) bond length is 2.13 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 2.14 Å. The Sc(2)-O(8) bond length is 2.09 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 trigonal pyramids that share corners with two equivalent O(2)LaYSc2 trigonal pyramids and corners with two equivalent O(3)Y2Sc2 trigonal pyramids. 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 trigonal pyramids that share corners with two equivalent O(1)LaYSc2 trigonal pyramids and corners with two equivalent O(4)Y2Sc2 trigonal pyramids. In the third O site, O(3) is bonded to one Y(2), one Y(3), and two equivalent Sc(1) atoms to form distorted OY2Sc2 trigonal pyramids that share corners with two equivalent O(1)LaYSc2 trigonal pyramids and corners with two equivalent O(4)Y2Sc2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Y(2), one Y(3), and two equivalent Sc(2) atoms to form distorted OY2Sc2 trigonal pyramids that share corners with two equivalent O(2)LaYSc2 trigonal pyramids and corners with two equivalent O(3)Y2Sc2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Y(1), one Y(2), one Y(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(1), one Y(2), one Y(3), 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 Y(1), one Y(3), 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 Y(1), one Y(2), one Sc(1), and one Sc(2) atom.