Fe3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a distorted body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to six equivalent Nb(1) and eight equivalent Fe(1) atoms.
Fe3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Nb(1) is bonded in a distorted body-centered cubic geometry to six equivalent Fe(2) and eight equivalent Fe(1) atoms. All Nb(1)-Fe(2) bond lengths are 2.98 Å. All Nb(1)-Fe(1) bond lengths are 2.58 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to four equivalent Nb(1) and four equivalent Fe(2) atoms. All Fe(1)-Fe(2) bond lengths are 2.58 Å. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to six equivalent Nb(1) and eight equivalent Fe(1) atoms.