KNa2FeO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Fe(1) atoms to form edge-sharing OK2Na2Fe2 octahedra. In the third O site, O(3) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent Na(1), and one Fe(1) atom.
KNa2FeO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 4-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The K(1)-O(1) bond length is 2.78 Å. Both K(1)-O(2) bond lengths are 2.76 Å. There is one shorter (2.87 Å) and one longer (3.25 Å) K(1)-O(3) bond length. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Na(1)-O(2) bond length is 2.38 Å. There is one shorter (2.34 Å) and one longer (2.82 Å) Na(1)-O(1) bond length. There is one shorter (2.33 Å) and one longer (2.64 Å) Na(1)-O(3) bond length. Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. The Fe(1)-O(1) bond length is 1.88 Å. The Fe(1)-O(3) bond length is 1.88 Å. Both Fe(1)-O(2) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one K(1), four equivalent Na(1), and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Fe(1) atoms to form edge-sharing OK2Na2Fe2 octahedra. In the third O site, O(3) is bonded in a 7-coordinate geometry to two equivalent K(1), four equivalent Na(1), and one Fe(1) atom.