Y2FeN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Y site, Y(2) is bonded to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms to form distorted YN7 pentagonal bipyramids that share corners with four equivalent Y(2)N7 pentagonal bipyramids,  a cornercorner with one Fe(1)N4 tetrahedra, edges with three equivalent Y(2)N7 pentagonal bipyramids, and edges with four equivalent Fe(1)N4 tetrahedra. Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted FeN4 tetrahedra that share  a cornercorner with one Y(2)N7 pentagonal bipyramid, corners with two equivalent Fe(1)N4 tetrahedra, and edges with four equivalent Y(2)N7 pentagonal bipyramids. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted linear geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Fe(1) atoms. In the second N site, N(1) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Fe(1) atoms to form a mixture of distorted face and corner-sharing NY4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. In the third N site, N(2) is bonded to two equivalent Y(2), three equivalent Y(1), and one Fe(1) atom to form distorted NY5Fe octahedra that share corners with two equivalent N(2)Y5Fe octahedra, corners with three equivalent N(1)Y4Fe2 octahedra, corners with three equivalent N(3)Y5Fe octahedra, edges with three equivalent N(2)Y5Fe octahedra, edges with five equivalent N(3)Y5Fe octahedra, and  a faceface with one N(1)Y4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-56°. In the fourth N site, N(3) is bonded to two equivalent Y(1), three equivalent Y(2), and one Fe(1) atom to form distorted NY5Fe octahedra that share corners with two equivalent N(3)Y5Fe octahedra, corners with three equivalent N(1)Y4Fe2 octahedra, corners with three equivalent N(2)Y5Fe octahedra, edges with three equivalent N(3)Y5Fe octahedra, edges with five equivalent N(2)Y5Fe octahedra, and  a faceface with one N(1)Y4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-65°.
Y2FeN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. The Y(1)-N(1) bond length is 2.47 Å. The Y(1)-N(4) bond length is 2.69 Å. There is one shorter (2.35 Å) and one longer (2.43 Å) Y(1)-N(3) bond length. There are a spread of Y(1)-N(2) bond distances ranging from 2.41-2.70 Å. In the second Y site, Y(2) is bonded to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms to form distorted YN7 pentagonal bipyramids that share corners with four equivalent Y(2)N7 pentagonal bipyramids,  a cornercorner with one Fe(1)N4 tetrahedra, edges with three equivalent Y(2)N7 pentagonal bipyramids, and edges with four equivalent Fe(1)N4 tetrahedra. The Y(2)-N(1) bond length is 2.56 Å. The Y(2)-N(4) bond length is 2.64 Å. Both Y(2)-N(2) bond lengths are 2.37 Å. There are a spread of Y(2)-N(3) bond distances ranging from 2.42-2.62 Å. Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted FeN4 tetrahedra that share  a cornercorner with one Y(2)N7 pentagonal bipyramid, corners with two equivalent Fe(1)N4 tetrahedra, and edges with four equivalent Y(2)N7 pentagonal bipyramids. The Fe(1)-N(1) bond length is 1.84 Å. The Fe(1)-N(2) bond length is 1.97 Å. The Fe(1)-N(3) bond length is 1.95 Å. The Fe(1)-N(4) bond length is 1.72 Å. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted linear geometry to two equivalent Y(1), two equivalent Y(2), and two equivalent Fe(1) atoms. In the second N site, N(1) is bonded to two equivalent Y(1), two equivalent Y(2), and two equivalent Fe(1) atoms to form a mixture of distorted face and corner-sharing NY4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 40-65°. In the third N site, N(2) is bonded to two equivalent Y(2), three equivalent Y(1), and one Fe(1) atom to form distorted NY5Fe octahedra that share corners with two equivalent N(2)Y5Fe octahedra, corners with three equivalent N(1)Y4Fe2 octahedra, corners with three equivalent N(3)Y5Fe octahedra, edges with three equivalent N(2)Y5Fe octahedra, edges with five equivalent N(3)Y5Fe octahedra, and  a faceface with one N(1)Y4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-56°. In the fourth N site, N(3) is bonded to two equivalent Y(1), three equivalent Y(2), and one Fe(1) atom to form distorted NY5Fe octahedra that share corners with two equivalent N(3)Y5Fe octahedra, corners with three equivalent N(1)Y4Fe2 octahedra, corners with three equivalent N(2)Y5Fe octahedra, edges with three equivalent N(3)Y5Fe octahedra, edges with five equivalent N(2)Y5Fe octahedra, and  a faceface with one N(1)Y4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 9-65°.