KLi2FeO3 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), one Li(1), one Li(2), and two equivalent Fe(1) atoms to form edge-sharing OK2Li2Fe2 octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Fe(1) atom.
KLi2FeO3 crystallizes in the monoclinic Cc space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There is one shorter (2.60 Å) and one longer (2.63 Å) K(1)-O(1) bond length. There is one shorter (2.69 Å) and one longer (3.07 Å) K(1)-O(2) bond length. There is one shorter (2.75 Å) and one longer (3.00 Å) K(1)-O(3) bond length. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. The Li(1)-O(1) bond length is 2.03 Å. There is one shorter (2.03 Å) and one longer (2.04 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. The Li(2)-O(1) bond length is 2.02 Å. There is one shorter (2.03 Å) and one longer (2.05 Å) Li(2)-O(2) bond length. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. The Fe(1)-O(2) bond length is 1.86 Å. The Fe(1)-O(3) bond length is 1.87 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Fe(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), one Li(1), one Li(2), and two equivalent Fe(1) atoms to form edge-sharing OK2Li2Fe2 octahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Fe(1) atom.