Sr3Nd(FeO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Fe(2) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(4)Sr3Nd2Fe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(3)Sr3Nd2Fe octahedra, edges with two equivalent O(4)Sr3Nd2Fe octahedra, edges with four equivalent O(2)Sr4NdFe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Nd(1), and one Fe(1) atom to form distorted OSr4NdFe octahedra that share  a cornercorner with one O(3)Sr3Nd2Fe octahedra, corners with four equivalent O(2)Sr4NdFe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(3)Sr3Nd2Fe octahedra, edges with two equivalent O(4)Sr3Nd2Fe octahedra, edges with four equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Nd(1), and one Fe(1) atom to form distorted OSr3Nd2Fe octahedra that share  a cornercorner with one O(2)Sr4NdFe octahedra, corners with four equivalent O(3)Sr3Nd2Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(2)Sr4NdFe octahedra, edges with two equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(4)Sr3Nd2Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Nd(1), and one Fe(2) atom to form distorted OSr3Nd2Fe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra, corners with four equivalent O(4)Sr3Nd2Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(2)Sr4NdFe octahedra, edges with two equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr3Nd2Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(3), one Nd(1), one Fe(1), and one Fe(2) atom to form distorted OSr3NdFe2 octahedra that share corners with two equivalent O(5)Sr3NdFe2 octahedra, corners with three equivalent O(3)Sr3Nd2Fe octahedra, corners with three equivalent O(4)Sr3Nd2Fe octahedra, corners with three equivalent O(2)Sr4NdFe octahedra, corners with three equivalent O(1)Sr5Fe octahedra, edges with two equivalent O(5)Sr3NdFe2 octahedra,  a faceface with one O(3)Sr3Nd2Fe octahedra,  a faceface with one O(4)Sr3Nd2Fe octahedra,  a faceface with one O(2)Sr4NdFe octahedra,  a faceface with one O(1)Sr5Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-58°.
Sr3Nd(FeO4)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. The Sr(1)-O(1) bond length is 2.49 Å. Both Sr(1)-O(3) bond lengths are 2.76 Å. Both Sr(1)-O(4) bond lengths are 2.75 Å. All Sr(1)-O(5) bond lengths are 2.67 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. The Sr(2)-O(4) bond length is 2.47 Å. Both Sr(2)-O(1) bond lengths are 2.75 Å. Both Sr(2)-O(2) bond lengths are 2.78 Å. All Sr(2)-O(5) bond lengths are 2.73 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. The Sr(3)-O(3) bond length is 2.41 Å. Both Sr(3)-O(1) bond lengths are 2.75 Å. Both Sr(3)-O(2) bond lengths are 2.77 Å. All Sr(3)-O(5) bond lengths are 2.69 Å. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. The Nd(1)-O(2) bond length is 2.32 Å. Both Nd(1)-O(3) bond lengths are 2.76 Å. Both Nd(1)-O(4) bond lengths are 2.76 Å. All Nd(1)-O(5) bond lengths are 2.58 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Fe(1)-O(2) bond length is 2.26 Å. The Fe(1)-O(3) bond length is 2.07 Å. All Fe(1)-O(5) bond lengths are 1.91 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), and four equivalent O(5) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. The Fe(2)-O(1) bond length is 1.98 Å. The Fe(2)-O(4) bond length is 2.08 Å. All Fe(2)-O(5) bond lengths are 1.97 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Fe(2) atom to form distorted OSr5Fe octahedra that share  a cornercorner with one O(4)Sr3Nd2Fe octahedra, corners with four equivalent O(1)Sr5Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(3)Sr3Nd2Fe octahedra, edges with two equivalent O(4)Sr3Nd2Fe octahedra, edges with four equivalent O(2)Sr4NdFe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Nd(1), and one Fe(1) atom to form distorted OSr4NdFe octahedra that share  a cornercorner with one O(3)Sr3Nd2Fe octahedra, corners with four equivalent O(2)Sr4NdFe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(3)Sr3Nd2Fe octahedra, edges with two equivalent O(4)Sr3Nd2Fe octahedra, edges with four equivalent O(1)Sr5Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Nd(1), and one Fe(1) atom to form distorted OSr3Nd2Fe octahedra that share  a cornercorner with one O(2)Sr4NdFe octahedra, corners with four equivalent O(3)Sr3Nd2Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(2)Sr4NdFe octahedra, edges with two equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(4)Sr3Nd2Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Nd(1), and one Fe(2) atom to form distorted OSr3Nd2Fe octahedra that share  a cornercorner with one O(1)Sr5Fe octahedra, corners with four equivalent O(4)Sr3Nd2Fe octahedra, corners with twelve equivalent O(5)Sr3NdFe2 octahedra, edges with two equivalent O(2)Sr4NdFe octahedra, edges with two equivalent O(1)Sr5Fe octahedra, edges with four equivalent O(3)Sr3Nd2Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(3), one Nd(1), one Fe(1), and one Fe(2) atom to form distorted OSr3NdFe2 octahedra that share corners with two equivalent O(5)Sr3NdFe2 octahedra, corners with three equivalent O(3)Sr3Nd2Fe octahedra, corners with three equivalent O(4)Sr3Nd2Fe octahedra, corners with three equivalent O(2)Sr4NdFe octahedra, corners with three equivalent O(1)Sr5Fe octahedra, edges with two equivalent O(5)Sr3NdFe2 octahedra,  a faceface with one O(3)Sr3Nd2Fe octahedra,  a faceface with one O(4)Sr3Nd2Fe octahedra,  a faceface with one O(2)Sr4NdFe octahedra,  a faceface with one O(1)Sr5Fe octahedra, and faces with four equivalent O(5)Sr3NdFe2 octahedra. The corner-sharing octahedral tilt angles range from 2-58°.