MgLa4Cr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Cr(2), and one Cr(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Cr(1), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(2) atom.
MgLa4Cr3O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Both Mg(1)-O(1) bond lengths are 2.05 Å. Both Mg(1)-O(3) bond lengths are 2.09 Å. Both Mg(1)-O(6) bond lengths are 2.10 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. The La(1)-O(1) bond length is 2.54 Å. The La(1)-O(2) bond length is 2.40 Å. The La(1)-O(3) bond length is 2.63 Å. The La(1)-O(5) bond length is 2.64 Å. There is one shorter (2.42 Å) and one longer (2.82 Å) La(1)-O(4) bond length. There is one shorter (2.47 Å) and one longer (2.87 Å) La(1)-O(6) bond length. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms. The La(2)-O(1) bond length is 2.37 Å. The La(2)-O(2) bond length is 2.58 Å. The La(2)-O(4) bond length is 2.67 Å. The La(2)-O(6) bond length is 2.66 Å. There is one shorter (2.48 Å) and one longer (2.82 Å) La(2)-O(3) bond length. There is one shorter (2.43 Å) and one longer (2.80 Å) La(2)-O(5) bond length. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. Both Cr(1)-O(1) bond lengths are 2.01 Å. Both Cr(1)-O(4) bond lengths are 2.03 Å. Both Cr(1)-O(5) bond lengths are 2.02 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. Both Cr(2)-O(2) bond lengths are 2.02 Å. Both Cr(2)-O(3) bond lengths are 1.92 Å. Both Cr(2)-O(6) bond lengths are 1.92 Å. In the third Cr site, Cr(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. Both Cr(3)-O(2) bond lengths are 2.04 Å. Both Cr(3)-O(4) bond lengths are 2.01 Å. Both Cr(3)-O(5) bond lengths are 2.01 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one La(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Cr(2), and one Cr(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one La(1), two equivalent La(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Cr(1), and one Cr(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one La(2), two equivalent La(1), and one Cr(2) atom.