Er3NdFe34 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 20-coordinate geometry to two equivalent Fe(6), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Fe(7) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Fe(1), six equivalent Fe(2), and six equivalent Fe(3) atoms. In the third Er site, Er(3) is bonded in a 18-coordinate geometry to six equivalent Fe(1), six equivalent Fe(2), and six equivalent Fe(4) atoms. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Fe(5), six equivalent Fe(1), six equivalent Fe(4), and six equivalent Fe(7) atoms. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Er(2), one Er(3), one Nd(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeNdEr2Fe9 cuboctahedra that share corners with four equivalent Fe(2)Er3Fe9 cuboctahedra, corners with five equivalent Fe(7)NdErFe10 cuboctahedra, corners with six equivalent Fe(1)NdEr2Fe9 cuboctahedra, edges with three equivalent Fe(7)NdErFe10 cuboctahedra, edges with five equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(7)NdErFe10 cuboctahedra, and faces with six equivalent Fe(1)NdEr2Fe9 cuboctahedra. In the second Fe site, Fe(7) is bonded to one Er(1), one Nd(1), one Fe(5), one Fe(6), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form FeNdErFe10 cuboctahedra that share corners with four equivalent Fe(7)NdErFe10 cuboctahedra, corners with five equivalent Fe(2)Er3Fe9 cuboctahedra, corners with five equivalent Fe(1)NdEr2Fe9 cuboctahedra, edges with three equivalent Fe(2)Er3Fe9 cuboctahedra, edges with three equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(1)NdEr2Fe9 cuboctahedra, and faces with six equivalent Fe(7)NdErFe10 cuboctahedra. In the third Fe site, Fe(2) is bonded to one Er(1), one Er(2), one Er(3), one Fe(6), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeEr3Fe9 cuboctahedra that share corners with four equivalent Fe(1)NdEr2Fe9 cuboctahedra, corners with five equivalent Fe(7)NdErFe10 cuboctahedra, corners with six equivalent Fe(2)Er3Fe9 cuboctahedra, edges with three equivalent Fe(7)NdErFe10 cuboctahedra, edges with five equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(7)NdErFe10 cuboctahedra, and faces with six equivalent Fe(2)Er3Fe9 cuboctahedra. In the fourth Fe site, Fe(3) is bonded in a 12-coordinate geometry to one Er(1), one Er(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms. In the fifth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one Er(3), one Nd(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Nd(1), one Fe(5), three equivalent Fe(1), three equivalent Fe(7), and six equivalent Fe(3) atoms. In the seventh Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Er(1), one Fe(6), three equivalent Fe(2), three equivalent Fe(7), and six equivalent Fe(4) atoms.
Er3NdFe34 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 20-coordinate geometry to two equivalent Fe(6), six equivalent Fe(2), six equivalent Fe(3), and six equivalent Fe(7) atoms. Both Er(1)-Fe(6) bond lengths are 2.93 Å. All Er(1)-Fe(2) bond lengths are 3.12 Å. All Er(1)-Fe(3) bond lengths are 3.03 Å. All Er(1)-Fe(7) bond lengths are 3.19 Å. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to six equivalent Fe(1), six equivalent Fe(2), and six equivalent Fe(3) atoms. All Er(2)-Fe(1) bond lengths are 3.27 Å. All Er(2)-Fe(2) bond lengths are 3.11 Å. All Er(2)-Fe(3) bond lengths are 2.98 Å. In the third Er site, Er(3) is bonded in a 18-coordinate geometry to six equivalent Fe(1), six equivalent Fe(2), and six equivalent Fe(4) atoms. All Er(3)-Fe(1) bond lengths are 3.11 Å. All Er(3)-Fe(2) bond lengths are 3.29 Å. All Er(3)-Fe(4) bond lengths are 2.98 Å. Nd(1) is bonded in a 20-coordinate geometry to two equivalent Fe(5), six equivalent Fe(1), six equivalent Fe(4), and six equivalent Fe(7) atoms. Both Nd(1)-Fe(5) bond lengths are 2.95 Å. All Nd(1)-Fe(1) bond lengths are 3.14 Å. All Nd(1)-Fe(4) bond lengths are 3.05 Å. All Nd(1)-Fe(7) bond lengths are 3.22 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Er(2), one Er(3), one Nd(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeNdEr2Fe9 cuboctahedra that share corners with four equivalent Fe(2)Er3Fe9 cuboctahedra, corners with five equivalent Fe(7)NdErFe10 cuboctahedra, corners with six equivalent Fe(1)NdEr2Fe9 cuboctahedra, edges with three equivalent Fe(7)NdErFe10 cuboctahedra, edges with five equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(7)NdErFe10 cuboctahedra, and faces with six equivalent Fe(1)NdEr2Fe9 cuboctahedra. The Fe(1)-Fe(5) bond length is 2.68 Å. Both Fe(1)-Fe(2) bond lengths are 2.45 Å. Both Fe(1)-Fe(3) bond lengths are 2.52 Å. Both Fe(1)-Fe(4) bond lengths are 2.61 Å. Both Fe(1)-Fe(7) bond lengths are 2.47 Å. In the second Fe site, Fe(7) is bonded to one Er(1), one Nd(1), one Fe(5), one Fe(6), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), and two equivalent Fe(4) atoms to form FeNdErFe10 cuboctahedra that share corners with four equivalent Fe(7)NdErFe10 cuboctahedra, corners with five equivalent Fe(2)Er3Fe9 cuboctahedra, corners with five equivalent Fe(1)NdEr2Fe9 cuboctahedra, edges with three equivalent Fe(2)Er3Fe9 cuboctahedra, edges with three equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(2)Er3Fe9 cuboctahedra, faces with two equivalent Fe(1)NdEr2Fe9 cuboctahedra, and faces with six equivalent Fe(7)NdErFe10 cuboctahedra. The Fe(7)-Fe(5) bond length is 2.62 Å. The Fe(7)-Fe(6) bond length is 2.60 Å. Both Fe(7)-Fe(2) bond lengths are 2.46 Å. Both Fe(7)-Fe(3) bond lengths are 2.44 Å. Both Fe(7)-Fe(4) bond lengths are 2.46 Å. In the third Fe site, Fe(2) is bonded to one Er(1), one Er(2), one Er(3), one Fe(6), two equivalent Fe(1), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(7) atoms to form distorted FeEr3Fe9 cuboctahedra that share corners with four equivalent Fe(1)NdEr2Fe9 cuboctahedra, corners with five equivalent Fe(7)NdErFe10 cuboctahedra, corners with six equivalent Fe(2)Er3Fe9 cuboctahedra, edges with three equivalent Fe(7)NdErFe10 cuboctahedra, edges with five equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(1)NdEr2Fe9 cuboctahedra, faces with two equivalent Fe(7)NdErFe10 cuboctahedra, and faces with six equivalent Fe(2)Er3Fe9 cuboctahedra. The Fe(2)-Fe(6) bond length is 2.66 Å. Both Fe(2)-Fe(3) bond lengths are 2.59 Å. Both Fe(2)-Fe(4) bond lengths are 2.53 Å. In the fourth Fe site, Fe(3) is bonded in a 12-coordinate geometry to one Er(1), one Er(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(5), and two equivalent Fe(7) atoms. There is one shorter (2.45 Å) and one longer (2.57 Å) Fe(3)-Fe(3) bond length. Both Fe(3)-Fe(5) bond lengths are 2.77 Å. In the fifth Fe site, Fe(4) is bonded in a 12-coordinate geometry to one Er(3), one Nd(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(6), and two equivalent Fe(7) atoms. There is one shorter (2.43 Å) and one longer (2.57 Å) Fe(4)-Fe(4) bond length. Both Fe(4)-Fe(6) bond lengths are 2.77 Å. In the sixth Fe site, Fe(5) is bonded in a 14-coordinate geometry to one Nd(1), one Fe(5), three equivalent Fe(1), three equivalent Fe(7), and six equivalent Fe(3) atoms. The Fe(5)-Fe(5) bond length is 2.35 Å. In the seventh Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Er(1), one Fe(6), three equivalent Fe(2), three equivalent Fe(7), and six equivalent Fe(4) atoms. The Fe(6)-Fe(6) bond length is 2.38 Å.