Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2), four equivalent Fe(1), and two equivalent Cu(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. Cu(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Cu(1) atoms.
Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(2), four equivalent Fe(1), and two equivalent Cu(1) atoms. Both Fe(1)-Fe(2) bond lengths are 2.48 Å. All Fe(1)-Fe(1) bond lengths are 2.47 Å. Both Fe(1)-Cu(1) bond lengths are 2.52 Å. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. All Fe(2)-Fe(2) bond lengths are 2.47 Å. Cu(1) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Cu(1) atoms. All Cu(1)-Cu(1) bond lengths are 2.47 Å.