LiLaNb4O12 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-93-2 atoms inside a LaNb4O12 framework. In the LaNb4O12 framework, 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 and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms.
LiLaNb4O12 crystallizes in the tetragonal I4/mmm space group. The structure consists of two 7439-93-2 atoms inside a LaNb4O12 framework. In the LaNb4O12 framework, 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 and faces with eight equivalent Nb(1)O6 octahedra. All La(1)-O(2) bond lengths are 2.81 Å. All La(1)-O(1) bond lengths are 2.67 Å. Nb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-14°. The Nb(1)-O(2) bond length is 2.08 Å. The Nb(1)-O(3) bond length is 1.94 Å. All Nb(1)-O(1) bond lengths are 2.00 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one La(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms.