GdNd3Al4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the third Nd site, Nd(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), 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(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. In the second Al site, Al(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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Gd(1), two equivalent Nd(3), and two equivalent Al(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Gd(1), two equivalent Nd(3), and two equivalent Al(2) atoms.
GdNd3Al4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. Gd(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Both Gd(1)-O(1) bond lengths are 2.79 Å. Both Gd(1)-O(2) bond lengths are 2.98 Å. Both Gd(1)-O(3) bond lengths are 2.41 Å. Both Gd(1)-O(4) bond lengths are 2.48 Å. There is one shorter (2.33 Å) and one longer (3.04 Å) Gd(1)-O(7) bond length. There is one shorter (2.59 Å) and one longer (2.79 Å) Gd(1)-O(8) bond length. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Nd(1)-O(1) bond lengths are 2.50 Å. Both Nd(1)-O(2) bond lengths are 2.44 Å. Both Nd(1)-O(3) bond lengths are 3.00 Å. Both Nd(1)-O(4) bond lengths are 2.82 Å. There is one shorter (2.62 Å) and one longer (2.76 Å) Nd(1)-O(5) bond length. There is one shorter (2.37 Å) and one longer (3.00 Å) Nd(1)-O(6) bond length. In the second Nd site, Nd(2) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Nd(2)-O(1) bond lengths are 2.45 Å. Both Nd(2)-O(2) bond lengths are 2.51 Å. Both Nd(2)-O(3) bond lengths are 2.80 Å. Both Nd(2)-O(4) bond lengths are 2.97 Å. There is one shorter (2.37 Å) and one longer (3.00 Å) Nd(2)-O(5) bond length. There is one shorter (2.61 Å) and one longer (2.77 Å) Nd(2)-O(6) bond length. In the third Nd site, Nd(3) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. Both Nd(3)-O(1) bond lengths are 2.96 Å. Both Nd(3)-O(2) bond lengths are 2.79 Å. Both Nd(3)-O(3) bond lengths are 2.51 Å. Both Nd(3)-O(4) bond lengths are 2.45 Å. There is one shorter (2.62 Å) and one longer (2.77 Å) Nd(3)-O(7) bond length. There is one shorter (2.36 Å) and one longer (3.00 Å) Nd(3)-O(8) bond length. There are two inequivalent Al sites. In the first Al site, Al(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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 17-24°. The Al(1)-O(1) bond length is 1.91 Å. The Al(1)-O(2) bond length is 1.91 Å. The Al(1)-O(3) bond length is 1.91 Å. The Al(1)-O(4) bond length is 1.91 Å. The Al(1)-O(5) bond length is 1.93 Å. The Al(1)-O(7) bond length is 1.92 Å. In the second Al site, Al(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 AlO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. The Al(2)-O(1) bond length is 1.91 Å. The Al(2)-O(2) bond length is 1.91 Å. The Al(2)-O(3) bond length is 1.92 Å. The Al(2)-O(4) bond length is 1.91 Å. The Al(2)-O(6) bond length is 1.93 Å. The Al(2)-O(8) bond length is 1.91 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Gd(1), one Nd(1), one Nd(2), one Nd(3), one Al(1), and one Al(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Al(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Gd(1), two equivalent Nd(3), and two equivalent Al(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Gd(1), two equivalent Nd(3), and two equivalent Al(2) atoms.