NaLa2Ti2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(9), two equivalent O(1), and two equivalent O(4) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(6), two equivalent O(7), and four equivalent O(8) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. Mn(1) is bonded to one O(10), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(3), one Ti(1), and one Mn(1) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(1), and two equivalent Mn(1) atoms. In the third O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(1) atom. In the fourth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(3), and two equivalent Mn(1) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(2), one Ti(1), and one Ti(2) atom. In the sixth O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one La(2), and two equivalent Ti(2) atoms. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent La(2), and two equivalent Ti(2) atoms. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one La(2), one La(3), one Ti(1), and one Ti(2) atom. In the tenth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), one La(3), one Ti(1), and one Mn(1) atom.
NaLa2Ti2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(9), two equivalent O(1), and two equivalent O(4) atoms. The Na(1)-O(2) bond length is 2.77 Å. The Na(1)-O(3) bond length is 2.47 Å. The Na(1)-O(5) bond length is 2.46 Å. The Na(1)-O(6) bond length is 2.90 Å. The Na(1)-O(9) bond length is 2.48 Å. There is one shorter (2.78 Å) and one longer (2.80 Å) Na(1)-O(1) bond length. There is one shorter (2.77 Å) and one longer (2.80 Å) Na(1)-O(4) bond length. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), two equivalent O(6), two equivalent O(7), and four equivalent O(8) atoms. The La(1)-O(10) bond length is 2.44 Å. Both La(1)-O(6) bond lengths are 2.70 Å. Both La(1)-O(7) bond lengths are 2.43 Å. There are two shorter (2.78 Å) and two longer (2.80 Å) La(1)-O(8) bond lengths. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(5), and four equivalent O(3) atoms. The La(2)-O(2) bond length is 2.45 Å. Both La(2)-O(1) bond lengths are 2.43 Å. Both La(2)-O(5) bond lengths are 2.77 Å. There are two shorter (2.77 Å) and two longer (2.79 Å) La(2)-O(3) bond lengths. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(8), two equivalent O(7), and two equivalent O(9) atoms. The La(3)-O(10) bond length is 2.80 Å. The La(3)-O(4) bond length is 2.41 Å. The La(3)-O(5) bond length is 2.78 Å. The La(3)-O(6) bond length is 2.41 Å. The La(3)-O(8) bond length is 2.46 Å. There is one shorter (2.75 Å) and one longer (2.84 Å) La(3)-O(7) bond length. There is one shorter (2.74 Å) and one longer (2.82 Å) La(3)-O(9) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. The Ti(1)-O(1) bond length is 1.95 Å. The Ti(1)-O(4) bond length is 2.03 Å. The Ti(1)-O(5) bond length is 1.97 Å. The Ti(1)-O(6) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 2.00 Å. The Ti(1)-O(9) bond length is 1.91 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. The Ti(2)-O(1) bond length is 2.02 Å. The Ti(2)-O(2) bond length is 1.99 Å. The Ti(2)-O(4) bond length is 1.96 Å. The Ti(2)-O(5) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (2.01 Å) Ti(2)-O(3) bond length. Mn(1) is bonded to one O(10), one O(6), one O(7), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. The Mn(1)-O(10) bond length is 2.01 Å. The Mn(1)-O(6) bond length is 2.02 Å. The Mn(1)-O(7) bond length is 2.02 Å. The Mn(1)-O(9) bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Mn(1)-O(8) bond length. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(3), one Ti(1), and one Mn(1) atom. In the second O site, O(8) is bonded in a 3-coordinate geometry to one La(3), two equivalent La(1), and two equivalent Mn(1) atoms. In the third O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(1) atom. In the fourth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(3), and two equivalent Mn(1) atoms. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(2), one Ti(1), and one Ti(2) atom. In the sixth O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), one La(2), and two equivalent Ti(2) atoms. In the seventh O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent La(2), and two equivalent Ti(2) atoms. In the eighth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(5) is bonded in a 5-coordinate geometry to one Na(1), one La(2), one La(3), one Ti(1), and one Ti(2) atom. In the tenth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one La(1), one La(3), one Ti(1), and one Mn(1) atom.