Fe is beta Plutonium-like structured and crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. In the second Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(4), four equivalent Fe(2), and four equivalent Fe(3) atoms. In the third Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Fe(1), four equivalent Fe(3), four equivalent Fe(4), and five equivalent Fe(2) atoms. In the fourth Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(3), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(4) atoms.
Fe is beta Plutonium-like structured and crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 9-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(4), and four equivalent Fe(3) atoms. The Fe(1)-Fe(1) bond length is 2.32 Å. Both Fe(1)-Fe(2) bond lengths are 2.43 Å. Both Fe(1)-Fe(4) bond lengths are 2.59 Å. All Fe(1)-Fe(3) bond lengths are 2.62 Å. In the second Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Fe(1), two equivalent Fe(4), four equivalent Fe(2), and four equivalent Fe(3) atoms. There is one shorter (2.25 Å) and one longer (2.33 Å) Fe(4)-Fe(4) bond length. There are two shorter (2.65 Å) and two longer (2.66 Å) Fe(4)-Fe(2) bond lengths. There are two shorter (2.43 Å) and two longer (2.50 Å) Fe(4)-Fe(3) bond lengths. In the third Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Fe(1), four equivalent Fe(3), four equivalent Fe(4), and five equivalent Fe(2) atoms. There are a spread of Fe(2)-Fe(3) bond distances ranging from 2.58-2.65 Å. There is one shorter (2.32 Å) and four longer (2.81 Å) Fe(2)-Fe(2) bond lengths. In the fourth Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Fe(3), two equivalent Fe(1), four equivalent Fe(2), and four equivalent Fe(4) atoms. The Fe(3)-Fe(3) bond length is 2.41 Å.