LiKNb4O12 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-93-2 atom inside a KNb4O12 framework. In the KNb4O12 framework, K(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(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 K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Nb(1) atoms.
LiKNb4O12 crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7439-93-2 atom inside a KNb4O12 framework. In the KNb4O12 framework, K(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra and faces with eight equivalent Nb(1)O6 octahedra. All K(1)-O(3) bond lengths are 2.83 Å. All K(1)-O(1) bond lengths are 2.87 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 K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Nb(1)-O(2) bond length is 1.99 Å. The Nb(1)-O(3) bond length is 2.02 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 distorted linear geometry to one K(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Nb(1) atoms.