FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal P31c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), 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°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), 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 four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Fe(1) and three equivalent Fe(2) 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 trigonal P31c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), 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(2) bond length is 2.21 Å. The Fe(1)-O(3) bond length is 2.22 Å. The Fe(1)-O(4) bond length is 2.25 Å. There are a spread of Fe(1)-O(1) bond distances ranging from 2.07-2.27 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), 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(2)-O(2) bond length is 2.27 Å. The Fe(2)-O(3) bond length is 2.14 Å. The Fe(2)-O(4) bond length is 2.17 Å. There are a spread of Fe(2)-O(1) bond distances ranging from 2.13-2.27 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids.