La2TiCrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second La site, La(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms 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 19-24°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms 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 26-31°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms 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 19-26°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms 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 24-31°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), 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 Ti(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Ti(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Ti(2), and one Cr(1) atom.
La2TiCrO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. The La(1)-O(2) bond length is 2.44 Å. The La(1)-O(3) bond length is 2.35 Å. The La(1)-O(6) bond length is 2.42 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. The La(2)-O(1) bond length is 2.33 Å. The La(2)-O(4) bond length is 2.47 Å. The La(2)-O(5) bond length is 2.42 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms 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 19-24°. Both Ti(1)-O(2) bond lengths are 2.06 Å. Both Ti(1)-O(4) bond lengths are 2.03 Å. Both Ti(1)-O(5) bond lengths are 1.96 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms 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 26-31°. Both Ti(2)-O(1) bond lengths are 1.94 Å. Both Ti(2)-O(3) bond lengths are 2.03 Å. Both Ti(2)-O(6) bond lengths are 2.02 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms 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 19-26°. Both Cr(1)-O(2) bond lengths are 2.04 Å. Both Cr(1)-O(4) bond lengths are 2.01 Å. Both Cr(1)-O(6) bond lengths are 2.01 Å. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms 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 24-31°. Both Cr(2)-O(1) bond lengths are 2.25 Å. Both Cr(2)-O(3) bond lengths are 2.09 Å. Both Cr(2)-O(5) bond lengths are 2.06 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(2), 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 Ti(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Ti(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one Ti(1), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Ti(2), and one Cr(1) atom.