Sr4MgTi3O10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(2) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with six equivalent O(2)Sr5Ti octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, faces with two equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. In the second O site, O(2) is bonded to five equivalent Sr(2) and one Ti(2) atom to form distorted OSr5Ti octahedra that share corners with four equivalent O(2)Sr5Ti octahedra, corners with twelve equivalent O(1)Sr4Ti2 octahedra, edges with eight equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Ti(2) atom.
Sr4MgTi3O10 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(4) atoms. The Sr(1)-Mg(1) bond length is 2.82 Å. All Sr(1)-O(1) bond lengths are 2.53 Å. All Sr(1)-O(4) bond lengths are 2.89 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to four equivalent O(1) and five equivalent O(2) atoms. All Sr(2)-O(1) bond lengths are 2.73 Å. There is one shorter (2.46 Å) and four longer (2.83 Å) Sr(2)-O(2) bond lengths. Mg(1) is bonded in a square co-planar geometry to two equivalent Sr(1) and four equivalent O(3) atoms. All Mg(1)-O(3) bond lengths are 2.00 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-O(4) bond lengths are 2.20 Å. All Ti(1)-O(3) bond lengths are 2.00 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), and four equivalent O(1) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ti(2)-O(2) bond length is 1.99 Å. The Ti(2)-O(4) bond length is 2.20 Å. All Ti(2)-O(1) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(2) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with six equivalent O(2)Sr5Ti octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, faces with two equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. In the second O site, O(2) is bonded to five equivalent Sr(2) and one Ti(2) atom to form distorted OSr5Ti octahedra that share corners with four equivalent O(2)Sr5Ti octahedra, corners with twelve equivalent O(1)Sr4Ti2 octahedra, edges with eight equivalent O(2)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 6-56°. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Ti(2) atom.