YMo2Fe10N crystallizes in the orthorhombic Immm space group. Y(1) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. Mo(1) is bonded in a 14-coordinate geometry to one Y(1), one Mo(1), two equivalent Fe(1), two 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(1) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with four equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. N(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NY2Fe4 octahedra that share corners with eight equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, and faces with eight equivalent Fe(3)Y2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted.
YMo2Fe10N crystallizes in the orthorhombic Immm space group. Y(1) is bonded in a distorted linear geometry to two equivalent Mo(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. Both Y(1)-Mo(1) bond lengths are 2.99 Å. Both Y(1)-Fe(4) bond lengths are 3.08 Å. All Y(1)-Fe(3) bond lengths are 3.20 Å. Both Y(1)-N(1) bond lengths are 2.36 Å. Mo(1) is bonded in a 14-coordinate geometry to one Y(1), one Mo(1), two equivalent Fe(1), two equivalent Fe(2), four equivalent Fe(3), and four equivalent Fe(4) atoms. The Mo(1)-Mo(1) bond length is 2.44 Å. Both Mo(1)-Fe(1) bond lengths are 2.70 Å. Both Mo(1)-Fe(2) bond lengths are 2.62 Å. All Mo(1)-Fe(3) bond lengths are 2.58 Å. All Mo(1)-Fe(4) bond lengths are 2.89 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. Both Fe(1)-Fe(4) bond lengths are 2.67 Å. All Fe(1)-Fe(3) bond lengths are 2.43 Å. The Fe(1)-N(1) bond length is 1.82 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(4), four equivalent Fe(3), and one N(1) atom. Both Fe(2)-Fe(4) bond lengths are 2.62 Å. All Fe(2)-Fe(3) bond lengths are 2.43 Å. The Fe(2)-N(1) bond length is 1.85 Å. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with four equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 68°. Both Fe(3)-Fe(3) bond lengths are 2.36 Å. Both Fe(3)-Fe(4) bond lengths are 2.60 Å. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), four equivalent Mo(1), one Fe(4), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(3) atoms. The Fe(4)-Fe(4) bond length is 2.29 Å. N(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NY2Fe4 octahedra that share corners with eight equivalent Fe(3)Y2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, and faces with eight equivalent Fe(3)Y2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted.