La2TiCrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), two equivalent O(12), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(6), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(8), two equivalent O(10), and two equivalent O(5) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(7), one O(8), one O(9), two equivalent O(11), and two equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form TiO6 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 24-33°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), one La(3), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Ti(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(4), one Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(4), one Ti(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(3), one Ti(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Ti(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(1), one Ti(1), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Ti(2), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(3), one Ti(2), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(4), one Ti(1), and one Cr(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(1), one Ti(1), and one Cr(1) atom.
La2TiCrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), two equivalent O(12), and two equivalent O(7) atoms. The La(1)-O(10) bond length is 2.82 Å. The La(1)-O(2) bond length is 2.77 Å. The La(1)-O(3) bond length is 2.87 Å. The La(1)-O(4) bond length is 2.39 Å. The La(1)-O(6) bond length is 2.87 Å. There is one shorter (2.40 Å) and one longer (2.78 Å) La(1)-O(12) bond length. There is one shorter (2.44 Å) and one longer (2.81 Å) La(1)-O(7) bond length. In the second La site, La(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(6), one O(8), and one O(9) atom. The La(2)-O(1) bond length is 2.42 Å. The La(2)-O(11) bond length is 2.71 Å. The La(2)-O(6) bond length is 2.67 Å. The La(2)-O(8) bond length is 2.40 Å. The La(2)-O(9) bond length is 2.35 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(8), two equivalent O(10), and two equivalent O(5) atoms. The La(3)-O(1) bond length is 2.98 Å. The La(3)-O(12) bond length is 2.80 Å. The La(3)-O(2) bond length is 2.40 Å. The La(3)-O(4) bond length is 2.65 Å. The La(3)-O(8) bond length is 2.90 Å. There is one shorter (2.35 Å) and one longer (2.90 Å) La(3)-O(10) bond length. There is one shorter (2.42 Å) and one longer (2.74 Å) La(3)-O(5) bond length. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(7), one O(8), one O(9), two equivalent O(11), and two equivalent O(3) atoms. The La(4)-O(4) bond length is 2.98 Å. The La(4)-O(6) bond length is 2.42 Å. The La(4)-O(7) bond length is 2.81 Å. The La(4)-O(8) bond length is 2.72 Å. The La(4)-O(9) bond length is 2.60 Å. There is one shorter (2.42 Å) and one longer (2.79 Å) La(4)-O(11) bond length. There is one shorter (2.44 Å) and one longer (2.79 Å) La(4)-O(3) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. The Ti(1)-O(11) bond length is 2.08 Å. The Ti(1)-O(12) bond length is 2.06 Å. The Ti(1)-O(2) bond length is 2.00 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(6) bond length is 2.00 Å. The Ti(1)-O(7) bond length is 2.01 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form TiO6 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 24-33°. The Ti(2)-O(1) bond length is 1.97 Å. The Ti(2)-O(10) bond length is 1.94 Å. The Ti(2)-O(4) bond length is 2.09 Å. The Ti(2)-O(5) bond length is 1.97 Å. The Ti(2)-O(8) bond length is 2.05 Å. The Ti(2)-O(9) bond length is 1.93 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-27°. The Cr(1)-O(11) bond length is 2.05 Å. The Cr(1)-O(12) bond length is 2.04 Å. The Cr(1)-O(3) bond length is 2.01 Å. The Cr(1)-O(4) bond length is 2.02 Å. The Cr(1)-O(7) bond length is 2.01 Å. The Cr(1)-O(8) bond length is 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. The Cr(2)-O(1) bond length is 2.09 Å. The Cr(2)-O(10) bond length is 2.23 Å. The Cr(2)-O(2) bond length is 2.09 Å. The Cr(2)-O(5) bond length is 2.06 Å. The Cr(2)-O(6) bond length is 2.08 Å. The Cr(2)-O(9) bond length is 2.25 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), one La(3), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Ti(1), and one Cr(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(4), one Ti(1), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(3), one La(4), one Ti(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(3), one Ti(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Ti(1), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(1), one Ti(1), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Ti(2), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(3), one Ti(2), and one Cr(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(4), one Ti(1), and one Cr(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(1), one Ti(1), and one Cr(1) atom.