SrNd2Ti4O12 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Nd(2)O12 cuboctahedra, faces with four equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Nd(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(2)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Nd(1)O12 cuboctahedra, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nd2Ti2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Nd(1), one Nd(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nd(2) and two equivalent Ti(1) atoms.
SrNd2Ti4O12 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Nd(2)O12 cuboctahedra, faces with four equivalent Nd(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.75 Å. All Sr(1)-O(2) bond lengths are 2.71 Å. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(1)O12 cuboctahedra, corners with eight equivalent Nd(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Nd(1)-O(1) bond lengths are 2.75 Å. All Nd(1)-O(2) bond lengths are 2.77 Å. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with four equivalent Nd(2)O12 cuboctahedra, corners with eight equivalent Nd(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Nd(2)-O(3) bond lengths are 2.75 Å. All Nd(2)-O(2) bond lengths are 2.75 Å. Ti(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Nd(1)O12 cuboctahedra, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. The Ti(1)-O(1) bond length is 2.01 Å. The Ti(1)-O(3) bond length is 1.90 Å. All Ti(1)-O(2) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nd2Ti2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Nd(1), one Nd(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Nd(2) and two equivalent Ti(1) atoms.