LaYTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OY2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), two equivalent Y(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Y(1), and two equivalent Ti(1) atoms.
LaYTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There is one shorter (2.42 Å) and one longer (2.50 Å) La(1)-O(2) bond length. Both La(1)-O(3) bond lengths are 2.81 Å. There are two shorter (2.42 Å) and two longer (2.68 Å) La(1)-O(4) bond lengths. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There is one shorter (2.28 Å) and one longer (2.34 Å) Y(1)-O(1) bond length. Both Y(1)-O(4) bond lengths are 2.65 Å. There are two shorter (2.36 Å) and two longer (2.55 Å) Y(1)-O(3) bond lengths. Ti(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. The Ti(1)-O(1) bond length is 2.02 Å. The Ti(1)-O(2) bond length is 2.05 Å. Both Ti(1)-O(3) bond lengths are 2.06 Å. Both Ti(1)-O(4) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form distorted corner-sharing OY2Ti2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), two equivalent Y(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Y(1), and two equivalent Ti(1) atoms.