SrNdMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Mn(1) atom to form distorted OSrNd4Mn octahedra that share  a cornercorner with one O(2)Sr4NdMn octahedra, corners with four equivalent O(1)SrNd4Mn octahedra, corners with twelve equivalent O(3)Sr2Nd2Mn2 octahedra, edges with four equivalent O(2)Sr4NdMn octahedra, edges with four equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Mn(1) atom to form distorted OSr4NdMn octahedra that share  a cornercorner with one O(1)SrNd4Mn octahedra, corners with four equivalent O(2)Sr4NdMn octahedra, corners with twelve equivalent O(3)Sr2Nd2Mn2 octahedra, edges with four equivalent O(2)Sr4NdMn octahedra, edges with four equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(3)Sr2Nd2Mn2 octahedra, corners with six equivalent O(2)Sr4NdMn octahedra, corners with six equivalent O(1)SrNd4Mn octahedra, edges with two equivalent O(3)Sr2Nd2Mn2 octahedra, faces with two equivalent O(2)Sr4NdMn octahedra, faces with two equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-53°.
SrNdMnO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.40 Å. All Sr(1)-O(2) bond lengths are 2.76 Å. All Sr(1)-O(3) bond lengths are 2.75 Å. Nd(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Nd(1)-O(2) bond length is 2.32 Å. All Nd(1)-O(1) bond lengths are 2.75 Å. All Nd(1)-O(3) bond lengths are 2.57 Å. Mn(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 8°. The Mn(1)-O(1) bond length is 2.18 Å. The Mn(1)-O(2) bond length is 2.23 Å. All Mn(1)-O(3) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Mn(1) atom to form distorted OSrNd4Mn octahedra that share  a cornercorner with one O(2)Sr4NdMn octahedra, corners with four equivalent O(1)SrNd4Mn octahedra, corners with twelve equivalent O(3)Sr2Nd2Mn2 octahedra, edges with four equivalent O(2)Sr4NdMn octahedra, edges with four equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Nd(1), and one Mn(1) atom to form distorted OSr4NdMn octahedra that share  a cornercorner with one O(1)SrNd4Mn octahedra, corners with four equivalent O(2)Sr4NdMn octahedra, corners with twelve equivalent O(3)Sr2Nd2Mn2 octahedra, edges with four equivalent O(2)Sr4NdMn octahedra, edges with four equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted OSr2Nd2Mn2 octahedra that share corners with two equivalent O(3)Sr2Nd2Mn2 octahedra, corners with six equivalent O(2)Sr4NdMn octahedra, corners with six equivalent O(1)SrNd4Mn octahedra, edges with two equivalent O(3)Sr2Nd2Mn2 octahedra, faces with two equivalent O(2)Sr4NdMn octahedra, faces with two equivalent O(1)SrNd4Mn octahedra, and faces with four equivalent O(3)Sr2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 8-53°.