NaSr2LaTi4O12 crystallizes in the tetragonal P-42m space group. Na(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted.
NaSr2LaTi4O12 crystallizes in the tetragonal P-42m space group. Na(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form distorted NaO12 cuboctahedra that share corners with four equivalent Na(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Na(1)-O(1) bond lengths are 2.95 Å. All Na(1)-O(2) bond lengths are 2.65 Å. All Na(1)-O(3) bond lengths are 2.77 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Na(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.62 Å. All Sr(1)-O(2) bond lengths are 2.91 Å. All Sr(1)-O(4) bond lengths are 2.77 Å. In the second Sr site, Sr(2) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All Sr(2)-O(1) bond lengths are 2.99 Å. All Sr(2)-O(2) bond lengths are 2.67 Å. All Sr(2)-O(4) bond lengths are 2.77 Å. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Ti(1)O6 octahedra. All La(1)-O(1) bond lengths are 2.58 Å. All La(1)-O(2) bond lengths are 2.90 Å. All La(1)-O(3) bond lengths are 2.77 Å. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, faces with two equivalent Na(1)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.99 Å. Both Ti(1)-O(1) bond lengths are 1.98 Å. Both Ti(1)-O(2) bond lengths are 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one Sr(1), one Sr(2), one La(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Na(1), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms to form a mixture of distorted corner and edge-sharing OSr4Ti2 octahedra. The corner-sharing octahedra are not tilted.