LaTi2O6 crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OLa4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms.
LaTi2O6 crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All La(1)-O(2) bond lengths are 2.72 Å. All La(1)-O(1) bond lengths are 2.63 Å. Ti(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-23°. The Ti(1)-O(2) bond length is 2.20 Å. The Ti(1)-O(3) bond length is 1.83 Å. All Ti(1)-O(1) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of edge and corner-sharing OLa4Ti2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms.