SmMo2Fe10N crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. In the second Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. Mo(1) is bonded in a 11-coordinate geometry to one Mo(1), two equivalent Fe(1), two equivalent Fe(2), two 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), 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(3), and one N(1) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sm(1), one Mo(1), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(3) atoms. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form corner-sharing NSm2Fe4 octahedra. The corner-sharing octahedra are not tilted.
SmMo2Fe10N crystallizes in the orthorhombic Immm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. All Sm(1)-Fe(3) bond lengths are 2.89 Å. Both Sm(1)-N(1) bond lengths are 2.25 Å. In the second Sm site, Sm(1) is bonded in a distorted linear geometry to four equivalent Fe(3) and two equivalent N(1) atoms. All Sm(1)-Fe(3) bond lengths are 2.89 Å. Both Sm(1)-N(1) bond lengths are 2.25 Å. Mo(1) is bonded in a 11-coordinate geometry to one Mo(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and four equivalent Fe(4) atoms. The Mo(1)-Mo(1) bond length is 2.69 Å. Both Mo(1)-Fe(1) bond lengths are 2.69 Å. Both Mo(1)-Fe(2) bond lengths are 2.68 Å. Both Mo(1)-Fe(3) bond lengths are 2.50 Å. All Mo(1)-Fe(4) bond lengths are 2.85 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), and one N(1) atom. Both Fe(1)-Fe(4) bond lengths are 2.56 Å. The Fe(1)-N(1) bond length is 1.98 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Mo(1), two equivalent Fe(3), and one N(1) atom. Both Fe(2)-Fe(3) bond lengths are 2.36 Å. The Fe(2)-N(1) bond length is 1.92 Å. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one Sm(1), one Mo(1), one Fe(2), one Fe(4), and two equivalent Fe(3) atoms. The Fe(3)-Fe(4) bond length is 2.27 Å. Both Fe(3)-Fe(3) bond lengths are 2.37 Å. In the fourth Fe site, Fe(4) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Fe(4), two equivalent Fe(1), and two equivalent Fe(3) atoms. The Fe(4)-Fe(4) bond length is 2.24 Å. N(1) is bonded to two equivalent Sm(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form corner-sharing NSm2Fe4 octahedra. The corner-sharing octahedra are not tilted.