MgLaCr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms.
MgLaCr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Mg(1)-O(1) bond length is 2.19 Å. The Mg(1)-O(4) bond length is 2.12 Å. Both Mg(1)-O(2) bond lengths are 2.40 Å. Both Mg(1)-O(3) bond lengths are 2.20 Å. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. The La(1)-O(1) bond length is 2.32 Å. The La(1)-O(4) bond length is 2.48 Å. Both La(1)-O(2) bond lengths are 2.37 Å. There are two shorter (2.63 Å) and two longer (2.74 Å) La(1)-O(3) bond lengths. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. The Cr(1)-O(1) bond length is 2.00 Å. The Cr(1)-O(4) bond length is 2.05 Å. There is one shorter (1.91 Å) and one longer (1.97 Å) Cr(1)-O(2) bond length. There is one shorter (2.01 Å) and one longer (2.03 Å) Cr(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), and two equivalent Cr(1) atoms.