Fe21W2C6 crystallizes in the cubic Fm-3m space group. W(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one W(1) and three equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing FeWC3 tetrahedra. In the second Fe site, Fe(2) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and two equivalent C(1) atoms. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to twelve equivalent Fe(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms.
Fe21W2C6 crystallizes in the cubic Fm-3m space group. W(1) is bonded in a distorted tetrahedral geometry to four equivalent Fe(1) atoms. All W(1)-Fe(1) bond lengths are 2.42 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one W(1) and three equivalent C(1) atoms to form a mixture of distorted corner and edge-sharing FeWC3 tetrahedra. All Fe(1)-C(1) bond lengths are 2.04 Å. In the second Fe site, Fe(2) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and two equivalent C(1) atoms. The Fe(2)-Fe(3) bond length is 2.51 Å. Both Fe(2)-C(1) bond lengths are 2.12 Å. In the third Fe site, Fe(3) is bonded in a cuboctahedral geometry to twelve equivalent Fe(2) atoms. C(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms.