LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom.
LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Li(1)-O(1) bond lengths are 2.22 Å. All Li(1)-O(2) bond lengths are 2.34 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. All Ti(1)-O(1) bond lengths are 1.86 Å. All Ti(1)-O(2) bond lengths are 2.16 Å. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. All Ti(2)-O(1) bond lengths are 2.13 Å. All Ti(2)-O(2) bond lengths are 1.88 Å. Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Bi(1)-O(1) bond lengths are 2.40 Å. All Bi(1)-O(2) bond lengths are 2.36 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one Bi(1) atom.