YFe11V crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one V(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. V(1) is bonded in a 14-coordinate geometry to one Y(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one V(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeY2VFe9 cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Y2VFe9 cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2VFe9 cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Y2VFe9 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Y2VFe9 cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2VFe9 cuboctahedra, and faces with eight equivalent Fe(1)Y2VFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent V(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), one V(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one V(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Y(1), two equivalent V(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms.
YFe11V crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one V(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. The Y(1)-V(1) bond length is 3.18 Å. The Y(1)-Fe(5) bond length is 3.03 Å. Both Y(1)-Fe(2) bond lengths are 3.02 Å. Both Y(1)-Fe(3) bond lengths are 3.07 Å. Both Y(1)-Fe(6) bond lengths are 3.03 Å. All Y(1)-Fe(4) bond lengths are 3.01 Å. There are four shorter (3.19 Å) and four longer (3.23 Å) Y(1)-Fe(1) bond lengths. V(1) is bonded in a 14-coordinate geometry to one Y(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. The V(1)-Fe(5) bond length is 2.27 Å. Both V(1)-Fe(3) bond lengths are 2.63 Å. Both V(1)-Fe(4) bond lengths are 2.58 Å. All V(1)-Fe(1) bond lengths are 2.62 Å. All V(1)-Fe(6) bond lengths are 2.85 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one V(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeY2VFe9 cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Y2VFe9 cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2VFe9 cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Y2VFe9 cuboctahedra. The Fe(1)-Fe(2) bond length is 2.42 Å. The Fe(1)-Fe(3) bond length is 2.42 Å. The Fe(1)-Fe(5) bond length is 2.60 Å. Both Fe(1)-Fe(1) bond lengths are 2.34 Å. There is one shorter (2.42 Å) and one longer (2.44 Å) Fe(1)-Fe(4) bond length. There is one shorter (2.58 Å) and one longer (2.60 Å) Fe(1)-Fe(6) bond length. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Y2VFe9 cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with four equivalent Fe(1)Y2VFe9 cuboctahedra, and faces with eight equivalent Fe(1)Y2VFe9 cuboctahedra. Both Fe(2)-Fe(4) bond lengths are 2.71 Å. Both Fe(2)-Fe(5) bond lengths are 2.60 Å. Both Fe(2)-Fe(6) bond lengths are 2.59 Å. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent V(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. Both Fe(3)-Fe(4) bond lengths are 2.71 Å. Both Fe(3)-Fe(6) bond lengths are 2.60 Å. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(1), one V(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. The Fe(4)-Fe(5) bond length is 2.60 Å. Both Fe(4)-Fe(6) bond lengths are 2.60 Å. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one V(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. All Fe(5)-Fe(6) bond lengths are 2.87 Å. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Y(1), two equivalent V(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms. The Fe(6)-Fe(6) bond length is 2.38 Å.