KCe2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom.
KCe2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. Both K(1)-O(4) bond lengths are 3.06 Å. There are two shorter (2.77 Å) and two longer (3.11 Å) K(1)-O(1) bond lengths. All K(1)-O(3) bond lengths are 3.04 Å. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. The Ce(1)-O(2) bond length is 2.48 Å. The Ce(1)-O(4) bond length is 2.29 Å. Both Ce(1)-O(1) bond lengths are 2.13 Å. Both Ce(1)-O(3) bond lengths are 2.30 Å. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. The Ce(2)-O(2) bond length is 2.16 Å. The Ce(2)-O(4) bond length is 2.41 Å. Both Ce(2)-O(1) bond lengths are 2.74 Å. Both Ce(2)-O(3) bond lengths are 2.25 Å. Fe(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. The Fe(1)-O(2) bond length is 2.11 Å. The Fe(1)-O(4) bond length is 1.97 Å. Both Fe(1)-O(1) bond lengths are 2.06 Å. Both Fe(1)-O(3) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom.