LaTaTiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Ti(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 TiO6 octahedra that share edges with three equivalent Ta(1)O6 octahedra. Ta(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 TaO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(2), one Ti(1), and one Ta(1) atom.
LaTaTiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both La(1)-O(1) bond lengths are 2.44 Å. Both La(1)-O(3) bond lengths are 2.45 Å. Both La(1)-O(4) bond lengths are 2.85 Å. Both La(1)-O(5) bond lengths are 2.62 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Both La(2)-O(2) bond lengths are 2.42 Å. Both La(2)-O(3) bond lengths are 2.85 Å. Both La(2)-O(4) bond lengths are 2.45 Å. Both La(2)-O(6) bond lengths are 2.62 Å. Ti(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 TiO6 octahedra that share edges with three equivalent Ta(1)O6 octahedra. The Ti(1)-O(1) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 2.03 Å. The Ti(1)-O(3) bond length is 2.02 Å. The Ti(1)-O(4) bond length is 2.02 Å. The Ti(1)-O(5) bond length is 1.96 Å. The Ti(1)-O(6) bond length is 1.97 Å. Ta(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 TaO6 octahedra that share edges with three equivalent Ti(1)O6 octahedra. The Ta(1)-O(1) bond length is 2.05 Å. The Ta(1)-O(2) bond length is 1.94 Å. The Ta(1)-O(3) bond length is 2.03 Å. The Ta(1)-O(4) bond length is 2.03 Å. The Ta(1)-O(5) bond length is 1.98 Å. The Ta(1)-O(6) bond length is 1.98 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(2), one Ti(1), and one Ta(1) atom.