LaMoFeO6 crystallizes in the monoclinic Pc space group. 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. Mo(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 MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom.
LaMoFeO6 crystallizes in the monoclinic Pc space group. 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. There is one shorter (2.58 Å) and one longer (3.02 Å) La(1)-O(1) bond length. There is one shorter (2.67 Å) and one longer (2.73 Å) La(1)-O(2) bond length. There is one shorter (2.61 Å) and one longer (2.79 Å) La(1)-O(3) bond length. There is one shorter (2.42 Å) and one longer (3.11 Å) La(1)-O(4) bond length. There is one shorter (2.47 Å) and one longer (3.25 Å) La(1)-O(5) bond length. There is one shorter (2.49 Å) and one longer (3.23 Å) La(1)-O(6) bond length. Mo(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 MoO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. The Mo(1)-O(1) bond length is 1.92 Å. The Mo(1)-O(2) bond length is 1.94 Å. The Mo(1)-O(3) bond length is 1.97 Å. The Mo(1)-O(4) bond length is 1.97 Å. The Mo(1)-O(5) bond length is 1.94 Å. The Mo(1)-O(6) bond length is 1.93 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 Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-22°. The Fe(1)-O(1) bond length is 2.03 Å. The Fe(1)-O(2) bond length is 2.05 Å. The Fe(1)-O(3) bond length is 2.02 Å. The Fe(1)-O(4) bond length is 2.01 Å. The Fe(1)-O(5) bond length is 2.00 Å. The Fe(1)-O(6) bond length is 2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent La(1), one Mo(1), and one Fe(1) atom.