HoMo2Fe10N crystallizes in the orthorhombic Immm space group. Ho(1) is bonded in a 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 Ho(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 Ho(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 FeHo2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Ho2Fe4 octahedra, edges with four equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Ho2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Ho(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 Ho(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NHo2Fe4 octahedra that share corners with eight equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Ho2Fe4 octahedra, and faces with eight equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted.
HoMo2Fe10N crystallizes in the orthorhombic Immm space group. Ho(1) is bonded in a linear geometry to two equivalent Mo(1), two equivalent Fe(4), eight equivalent Fe(3), and two equivalent N(1) atoms. Both Ho(1)-Mo(1) bond lengths are 3.09 Å. Both Ho(1)-Fe(4) bond lengths are 3.13 Å. All Ho(1)-Fe(3) bond lengths are 3.28 Å. Both Ho(1)-N(1) bond lengths are 2.38 Å. Mo(1) is bonded in a 14-coordinate geometry to one Ho(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 2.72 Å. Both Mo(1)-Fe(2) bond lengths are 2.66 Å. All Mo(1)-Fe(3) bond lengths are 2.65 Å. All Mo(1)-Fe(4) bond lengths are 2.94 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 2.47 Å. The Fe(1)-N(1) bond length is 1.92 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 2.69 Å. All Fe(2)-Fe(3) bond lengths are 2.49 Å. The Fe(2)-N(1) bond length is 1.91 Å. In the third Fe site, Fe(3) is bonded to two equivalent Ho(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 FeHo2Fe8Mo2 cuboctahedra that share corners with ten equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Ho2Fe4 octahedra, edges with four equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, faces with six equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, and faces with two equivalent N(1)Ho2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. Both Fe(3)-Fe(3) bond lengths are 2.38 Å. Both Fe(3)-Fe(4) bond lengths are 2.64 Å. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Ho(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 2.44 Å. N(1) is bonded to two equivalent Ho(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NHo2Fe4 octahedra that share corners with eight equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra, corners with two equivalent N(1)Ho2Fe4 octahedra, and faces with eight equivalent Fe(3)Ho2Fe8Mo2 cuboctahedra. The corner-sharing octahedra are not tilted.