MgLaMnFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. 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 Mn(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgMnFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgMnFe trigonal pyramids.
MgLaMnFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mg(1)-O(1) bond length is 2.17 Å. The Mg(1)-O(2) bond length is 2.21 Å. The Mg(1)-O(3) bond length is 2.23 Å. The Mg(1)-O(4) bond length is 2.26 Å. The Mg(1)-O(5) bond length is 2.32 Å. The Mg(1)-O(6) bond length is 2.30 Å. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The La(1)-O(1) bond length is 2.56 Å. The La(1)-O(4) bond length is 2.35 Å. The La(1)-O(5) bond length is 2.41 Å. The La(1)-O(6) bond length is 2.39 Å. There is one shorter (2.62 Å) and one longer (2.75 Å) La(1)-O(2) bond length. There is one shorter (2.62 Å) and one longer (2.74 Å) La(1)-O(3) bond length. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. The Mn(1)-O(1) bond length is 1.99 Å. The Mn(1)-O(2) bond length is 1.98 Å. The Mn(1)-O(3) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(5) bond length is 1.92 Å. The Mn(1)-O(6) bond length is 1.92 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-40°. The Fe(1)-O(1) bond length is 2.05 Å. The Fe(1)-O(2) bond length is 2.03 Å. The Fe(1)-O(3) bond length is 2.06 Å. The Fe(1)-O(4) bond length is 2.03 Å. The Fe(1)-O(5) bond length is 1.99 Å. The Fe(1)-O(6) bond length is 2.00 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 Mn(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent La(1), one Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgMnFe trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one La(1), one Mn(1), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLaMgMnFe trigonal pyramids.