FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P-62c space group. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are three inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third O site, O(3) is bonded to six equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids.
FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P-62c space group. Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The Fe(1)-O(3) bond length is 2.20 Å. There is one shorter (2.15 Å) and one longer (2.29 Å) Fe(1)-O(2) bond length. There are a spread of Fe(1)-O(1) bond distances ranging from 2.14-2.26 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third O site, O(3) is bonded to six equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids.