Nd3LaCr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(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 Nd site, Nd(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 Nd site, Nd(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. La(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 Cr sites. In the first Cr site, Cr(1) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. In the second Cr site, Cr(2) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 27-29°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one La(1), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one La(1), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Nd(2), one Nd(3), one La(1), one Cr(1), and one Cr(2) atom.
Nd3LaCr4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(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 Nd(1)-O(1) bond length is 2.36 Å. The Nd(1)-O(2) bond length is 2.45 Å. Both Nd(1)-O(5) bond lengths are 2.39 Å. Both Nd(1)-O(6) bond lengths are 2.62 Å. Both Nd(1)-O(7) bond lengths are 2.77 Å. In the second Nd site, Nd(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 Nd(2)-O(3) bond length is 2.45 Å. The Nd(2)-O(4) bond length is 2.36 Å. Both Nd(2)-O(6) bond lengths are 2.75 Å. Both Nd(2)-O(7) bond lengths are 2.60 Å. Both Nd(2)-O(8) bond lengths are 2.40 Å. In the third Nd site, Nd(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 Nd(3)-O(3) bond length is 2.36 Å. The Nd(3)-O(4) bond length is 2.46 Å. Both Nd(3)-O(5) bond lengths are 2.73 Å. Both Nd(3)-O(7) bond lengths are 2.40 Å. Both Nd(3)-O(8) bond lengths are 2.61 Å. La(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 La(1)-O(1) bond length is 2.53 Å. The La(1)-O(2) bond length is 2.39 Å. Both La(1)-O(5) bond lengths are 2.68 Å. Both La(1)-O(6) bond lengths are 2.41 Å. Both La(1)-O(8) bond lengths are 2.78 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. The Cr(1)-O(2) bond length is 2.02 Å. The Cr(1)-O(4) bond length is 2.02 Å. The Cr(1)-O(5) bond length is 2.03 Å. The Cr(1)-O(6) bond length is 2.02 Å. The Cr(1)-O(7) bond length is 2.03 Å. The Cr(1)-O(8) bond length is 2.02 Å. In the second Cr site, Cr(2) 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 CrO6 octahedra. The corner-sharing octahedral tilt angles range from 27-29°. The Cr(2)-O(1) bond length is 2.03 Å. The Cr(2)-O(3) bond length is 2.02 Å. The Cr(2)-O(5) bond length is 2.02 Å. The Cr(2)-O(6) bond length is 2.03 Å. The Cr(2)-O(7) bond length is 2.03 Å. The Cr(2)-O(8) bond length is 2.03 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Cr(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Nd(2), one Nd(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(3), one La(1), one Cr(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one La(1), one Cr(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Cr(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Nd(2), one Nd(3), one La(1), one Cr(1), and one Cr(2) atom.