Lu6Fe23 crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a 12-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a distorted q6 geometry to three equivalent Lu(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Fe(4) atoms. In the second Fe site, Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Fe(3) atoms. In the third Fe site, Fe(2) is bonded to four equivalent Lu(1), four equivalent Fe(3), and four equivalent Fe(4) atoms to form a mixture of face and corner-sharing FeLu4Fe8 cuboctahedra. In the fourth Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent Lu(1), one Fe(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Fe(4) atoms.
Lu6Fe23 crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a 12-coordinate geometry to four equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. All Lu(1)-Fe(2) bond lengths are 3.02 Å. All Lu(1)-Fe(3) bond lengths are 2.88 Å. All Lu(1)-Fe(4) bond lengths are 2.96 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(4) is bonded in a distorted q6 geometry to three equivalent Lu(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Fe(4) atoms. All Fe(4)-Fe(2) bond lengths are 2.43 Å. All Fe(4)-Fe(3) bond lengths are 2.60 Å. All Fe(4)-Fe(4) bond lengths are 2.54 Å. In the second Fe site, Fe(1) is bonded in a body-centered cubic geometry to eight equivalent Fe(3) atoms. All Fe(1)-Fe(3) bond lengths are 2.49 Å. In the third Fe site, Fe(2) is bonded to four equivalent Lu(1), four equivalent Fe(3), and four equivalent Fe(4) atoms to form a mixture of face and corner-sharing FeLu4Fe8 cuboctahedra. All Fe(2)-Fe(3) bond lengths are 2.61 Å. In the fourth Fe site, Fe(3) is bonded in a 13-coordinate geometry to three equivalent Lu(1), one Fe(1), three equivalent Fe(2), three equivalent Fe(3), and three equivalent Fe(4) atoms. All Fe(3)-Fe(3) bond lengths are 2.88 Å.