NaKTiO3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Na(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Na(1)O5 trigonal bipyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(2) and four equivalent O(1) atoms to form TiO5 trigonal bipyramids that share corners with five equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent Na(1)O5 trigonal bipyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent K(1), one Na(1), and one Ti(1) atom.
NaKTiO3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two shorter (3.12 Å) and two longer (3.16 Å) K(1)-O(1) bond lengths. There are two shorter (2.81 Å) and two longer (2.94 Å) K(1)-O(2) bond lengths. Na(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted NaO5 trigonal bipyramids that share corners with five equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Na(1)O5 trigonal bipyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The Na(1)-O(2) bond length is 2.33 Å. There are two shorter (2.33 Å) and two longer (2.36 Å) Na(1)-O(1) bond lengths. Ti(1) is bonded to one O(2) and four equivalent O(1) atoms to form TiO5 trigonal bipyramids that share corners with five equivalent Na(1)O5 trigonal bipyramids, edges with two equivalent Na(1)O5 trigonal bipyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The Ti(1)-O(2) bond length is 1.78 Å. There are two shorter (1.92 Å) and two longer (2.02 Å) Ti(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Na(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent K(1), one Na(1), and one Ti(1) atom.