MgLa2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are two inequivalent La sites. In the first La site, La(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 La site, La(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. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom.
MgLa2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. Both Mg(1)-O(1) bond lengths are 2.08 Å. Both Mg(1)-O(3) bond lengths are 2.07 Å. Both Mg(1)-O(5) bond lengths are 2.06 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. Both Mg(2)-O(2) bond lengths are 2.08 Å. Both Mg(2)-O(4) bond lengths are 2.07 Å. Both Mg(2)-O(6) bond lengths are 2.06 Å. There are two inequivalent La sites. In the first La site, La(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 La(1)-O(1) bond lengths are 3.13 Å. There is one shorter (2.47 Å) and one longer (2.57 Å) La(1)-O(2) bond length. There is one shorter (2.63 Å) and one longer (2.94 Å) La(1)-O(3) bond length. There is one shorter (2.48 Å) and one longer (3.24 Å) La(1)-O(4) bond length. There is one shorter (2.34 Å) and one longer (2.75 Å) La(1)-O(5) bond length. There is one shorter (2.82 Å) and one longer (3.24 Å) La(1)-O(6) bond length. In the second La site, La(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. There is one shorter (2.47 Å) and one longer (2.58 Å) La(2)-O(1) bond length. Both La(2)-O(2) bond lengths are 3.14 Å. There is one shorter (2.48 Å) and one longer (3.24 Å) La(2)-O(3) bond length. There is one shorter (2.63 Å) and one longer (2.94 Å) La(2)-O(4) bond length. There is one shorter (2.81 Å) and one longer (3.23 Å) La(2)-O(5) bond length. There is one shorter (2.34 Å) and one longer (2.74 Å) La(2)-O(6) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Mg(2)O6 octahedra and corners with four equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. Both Fe(1)-O(1) bond lengths are 1.90 Å. Both Fe(1)-O(4) bond lengths are 1.91 Å. Both Fe(1)-O(5) bond lengths are 2.10 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Mg(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. Both Fe(2)-O(2) bond lengths are 1.91 Å. Both Fe(2)-O(3) bond lengths are 1.90 Å. Both Fe(2)-O(6) bond lengths are 2.11 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), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent La(1), two equivalent La(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(2), two equivalent La(1), two equivalent La(2), and one Fe(2) atom.