LiYbNbO3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Yb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms.
LiYbNbO3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. The Li(1)-O(1) bond length is 1.91 Å. Both Li(1)-O(2) bond lengths are 1.91 Å. Yb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. The Yb(1)-O(1) bond length is 2.29 Å. Both Yb(1)-O(2) bond lengths are 2.29 Å. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There is one shorter (2.10 Å) and one longer (2.12 Å) Nb(1)-O(1) bond length. There are two shorter (2.10 Å) and two longer (2.13 Å) Nb(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms.