Nd5Fe5As5O4F crystallizes in the triclinic P-1 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), two equivalent O(2), and one F(1) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(4), one As(5), one O(1), one O(2), one O(3), and one O(4) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(5), one O(4), two equivalent O(3), and one F(1) atom. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), two equivalent O(1), and one F(1) atom. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(3), one As(4), one As(5), one O(2), two equivalent O(4), and one F(1) atom. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(3), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the third Fe site, Fe(3) is bonded to one As(3), one As(4), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. In the fifth Fe site, Fe(5) is bonded to one As(2), one As(4), and two equivalent As(5) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), one Nd(5), one Fe(2), one Fe(5), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), and two equivalent Fe(4) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(5) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(2), one Nd(5), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(4), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(5) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. F(1) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form FNd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd4 tetrahedra.
Nd5Fe5As5O4F crystallizes in the triclinic P-1 space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(4), one O(1), two equivalent O(2), and one F(1) atom. The Nd(1)-As(1) bond length is 3.38 Å. The Nd(1)-As(2) bond length is 3.25 Å. The Nd(1)-As(3) bond length is 3.25 Å. The Nd(1)-As(4) bond length is 3.32 Å. The Nd(1)-O(1) bond length is 2.36 Å. There is one shorter (2.34 Å) and one longer (2.36 Å) Nd(1)-O(2) bond length. The Nd(1)-F(1) bond length is 2.49 Å. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(4), one As(5), one O(1), one O(2), one O(3), and one O(4) atom. The Nd(2)-As(1) bond length is 3.33 Å. The Nd(2)-As(2) bond length is 3.36 Å. The Nd(2)-As(4) bond length is 3.36 Å. The Nd(2)-As(5) bond length is 3.35 Å. The Nd(2)-O(1) bond length is 2.38 Å. The Nd(2)-O(2) bond length is 2.38 Å. The Nd(2)-O(3) bond length is 2.38 Å. The Nd(2)-O(4) bond length is 2.38 Å. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), one As(4), one As(5), one O(4), two equivalent O(3), and one F(1) atom. The Nd(3)-As(1) bond length is 3.33 Å. The Nd(3)-As(3) bond length is 3.25 Å. The Nd(3)-As(4) bond length is 3.34 Å. The Nd(3)-As(5) bond length is 3.25 Å. The Nd(3)-O(4) bond length is 2.36 Å. There is one shorter (2.34 Å) and one longer (2.36 Å) Nd(3)-O(3) bond length. The Nd(3)-F(1) bond length is 2.49 Å. In the fourth Nd site, Nd(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one As(3), one As(5), one O(3), two equivalent O(1), and one F(1) atom. The Nd(4)-As(1) bond length is 3.23 Å. The Nd(4)-As(2) bond length is 3.35 Å. The Nd(4)-As(3) bond length is 3.27 Å. The Nd(4)-As(5) bond length is 3.36 Å. The Nd(4)-O(3) bond length is 2.37 Å. There is one shorter (2.34 Å) and one longer (2.37 Å) Nd(4)-O(1) bond length. The Nd(4)-F(1) bond length is 2.48 Å. In the fifth Nd site, Nd(5) is bonded in a 4-coordinate geometry to one As(2), one As(3), one As(4), one As(5), one O(2), two equivalent O(4), and one F(1) atom. The Nd(5)-As(2) bond length is 3.38 Å. The Nd(5)-As(3) bond length is 3.24 Å. The Nd(5)-As(4) bond length is 3.22 Å. The Nd(5)-As(5) bond length is 3.36 Å. The Nd(5)-O(2) bond length is 2.36 Å. There is one shorter (2.34 Å) and one longer (2.36 Å) Nd(5)-O(4) bond length. The Nd(5)-F(1) bond length is 2.47 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one As(1), one As(4), and two equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. The Fe(1)-As(1) bond length is 2.66 Å. The Fe(1)-As(4) bond length is 2.63 Å. There is one shorter (2.63 Å) and one longer (2.64 Å) Fe(1)-As(2) bond length. In the second Fe site, Fe(2) is bonded to one As(1), one As(2), one As(3), and one As(5) atom to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. The Fe(2)-As(1) bond length is 2.62 Å. The Fe(2)-As(2) bond length is 2.63 Å. The Fe(2)-As(3) bond length is 2.62 Å. The Fe(2)-As(5) bond length is 2.62 Å. In the third Fe site, Fe(3) is bonded to one As(3), one As(4), and two equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. The Fe(3)-As(3) bond length is 2.65 Å. The Fe(3)-As(4) bond length is 2.62 Å. There is one shorter (2.62 Å) and one longer (2.63 Å) Fe(3)-As(1) bond length. In the fourth Fe site, Fe(4) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. The Fe(4)-As(4) bond length is 2.63 Å. The Fe(4)-As(5) bond length is 2.63 Å. There is one shorter (2.61 Å) and one longer (2.64 Å) Fe(4)-As(3) bond length. In the fifth Fe site, Fe(5) is bonded to one As(2), one As(4), and two equivalent As(5) atoms to form a mixture of distorted corner and edge-sharing FeAs4 tetrahedra. The Fe(5)-As(2) bond length is 2.62 Å. The Fe(5)-As(4) bond length is 2.64 Å. There is one shorter (2.62 Å) and one longer (2.63 Å) Fe(5)-As(5) bond length. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), one Nd(5), one Fe(2), one Fe(5), and two equivalent Fe(1) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(3), and two equivalent Fe(4) atoms. In the fourth As site, As(4) is bonded in a 8-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(5), one Fe(1), one Fe(3), one Fe(4), and one Fe(5) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Fe(2), one Fe(4), and two equivalent Fe(5) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one Nd(2), and two equivalent Nd(4) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the second O site, O(2) is bonded to one Nd(2), one Nd(5), and two equivalent Nd(1) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the third O site, O(3) is bonded to one Nd(2), one Nd(4), and two equivalent Nd(3) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. In the fourth O site, O(4) is bonded to one Nd(2), one Nd(3), and two equivalent Nd(5) atoms to form ONd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one F(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra,  an edgeedge with one O(4)Nd4 tetrahedra, and  an edgeedge with one F(1)Nd4 tetrahedra. F(1) is bonded to one Nd(1), one Nd(3), one Nd(4), and one Nd(5) atom to form FNd4 tetrahedra that share  a cornercorner with one O(1)Nd4 tetrahedra,  a cornercorner with one O(2)Nd4 tetrahedra,  a cornercorner with one O(3)Nd4 tetrahedra,  a cornercorner with one O(4)Nd4 tetrahedra,  an edgeedge with one O(1)Nd4 tetrahedra,  an edgeedge with one O(2)Nd4 tetrahedra,  an edgeedge with one O(3)Nd4 tetrahedra, and  an edgeedge with one O(4)Nd4 tetrahedra.