Sr4MgTi3O10 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(8), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(1)O5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two 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(10), two equivalent O(9), and four equivalent O(2) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(8), and four equivalent O(3) atoms. Mg(1) is bonded in a T-shaped geometry to one O(10) and two equivalent O(7) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(6), two equivalent O(4), and two equivalent O(5) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Ti site, Ti(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with four equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)O5 square pyramid, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 8-57°. In the second O site, O(2) is bonded to one Sr(4), four equivalent Sr(3), and one Ti(2) atom to form distorted OSr5Ti octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with two equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(10)Sr2MgTi2 trigonal bipyramids, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with two equivalent O(10)Sr2MgTi2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-48°. In the third O site, O(3) is bonded to one Sr(3), four equivalent Sr(4), and one Ti(3) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(6)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr4Ti2 octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with two equivalent O(10)Sr2MgTi2 trigonal bipyramids, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(3)Sr5Ti octahedra, faces with two equivalent O(1)Sr4Ti2 octahedra, and faces with two equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Ti(1), and one Ti(3) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one O(3)Sr5Ti octahedra, corners with four equivalent O(1)Sr4Ti2 octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, edges with four equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(1)Sr4Ti2 octahedra, and faces with two equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the seventh O site, O(7) is bonded in a distorted square co-planar geometry to one Sr(2), two equivalent Mg(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(8)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, edges with two equivalent O(8)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 7-58°. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(3) and two equivalent Ti(2) atoms. In the tenth O site, O(10) is bonded to two equivalent Sr(3), one Mg(1), and two equivalent Ti(2) atoms to form distorted OSr2MgTi2 trigonal bipyramids that share corners with two equivalent O(3)Sr5Ti octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(10)Sr2MgTi2 trigonal bipyramids, and faces with two equivalent O(2)Sr5Ti octahedra. The corner-sharing octahedral tilt angles range from 46-54°.
Sr4MgTi3O10 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(4), two equivalent O(5), two equivalent O(8), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(3)O6 octahedra, and faces with four equivalent Ti(1)O5 square pyramids. There is one shorter (2.71 Å) and one longer (2.73 Å) Sr(1)-O(1) bond length. There is one shorter (2.94 Å) and one longer (2.95 Å) Sr(1)-O(4) bond length. There is one shorter (2.99 Å) and one longer (3.03 Å) Sr(1)-O(5) bond length. There is one shorter (2.72 Å) and one longer (2.73 Å) Sr(1)-O(8) bond length. There are a spread of Sr(1)-O(6) bond distances ranging from 2.77-2.83 Å. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(4), and two equivalent O(5) atoms. The Sr(2)-O(7) bond length is 2.50 Å. Both Sr(2)-O(4) bond lengths are 2.65 Å. There is one shorter (2.58 Å) and one longer (2.62 Å) Sr(2)-O(5) bond length. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(10), two equivalent O(9), and four equivalent O(2) atoms. The Sr(3)-O(3) bond length is 2.59 Å. There is one shorter (2.56 Å) and one longer (2.75 Å) Sr(3)-O(10) bond length. Both Sr(3)-O(9) bond lengths are 2.55 Å. There are a spread of Sr(3)-O(2) bond distances ranging from 2.74-2.89 Å. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(8), and four equivalent O(3) atoms. The Sr(4)-O(2) bond length is 2.43 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) Sr(4)-O(1) bond length. Both Sr(4)-O(8) bond lengths are 2.72 Å. There are a spread of Sr(4)-O(3) bond distances ranging from 2.79-2.81 Å. Mg(1) is bonded in a T-shaped geometry to one O(10) and two equivalent O(7) atoms. The Mg(1)-O(10) bond length is 2.04 Å. Both Mg(1)-O(7) bond lengths are 2.04 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(6), two equivalent O(4), and two equivalent O(5) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(3)O6 octahedra, corners with four equivalent Ti(1)O5 square pyramids, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. The Ti(1)-O(6) bond length is 1.87 Å. There is one shorter (1.95 Å) and one longer (2.03 Å) Ti(1)-O(4) bond length. Both Ti(1)-O(5) bond lengths are 1.99 Å. In the second Ti site, Ti(2) is bonded to one O(2), one O(7), two equivalent O(10), and two equivalent O(9) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Ti(2)-O(2) bond length is 2.02 Å. The Ti(2)-O(7) bond length is 2.02 Å. There is one shorter (1.98 Å) and one longer (1.99 Å) Ti(2)-O(10) bond length. There is one shorter (1.81 Å) and one longer (2.16 Å) Ti(2)-O(9) bond length. In the third Ti site, Ti(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(8) atoms to form TiO6 octahedra that share corners with four equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(1)O5 square pyramid, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 7-8°. The Ti(3)-O(3) bond length is 1.89 Å. The Ti(3)-O(6) bond length is 2.14 Å. Both Ti(3)-O(1) bond lengths are 1.98 Å. There is one shorter (1.98 Å) and one longer (2.00 Å) Ti(3)-O(8) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, edges with two equivalent O(1)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 8-57°. In the second O site, O(2) is bonded to one Sr(4), four equivalent Sr(3), and one Ti(2) atom to form distorted OSr5Ti octahedra that share corners with two equivalent O(1)Sr4Ti2 octahedra, corners with two equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(10)Sr2MgTi2 trigonal bipyramids, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(3)Sr5Ti octahedra, and faces with two equivalent O(10)Sr2MgTi2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 13-48°. In the third O site, O(3) is bonded to one Sr(3), four equivalent Sr(4), and one Ti(3) atom to form distorted OSr5Ti octahedra that share  a cornercorner with one O(6)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr4Ti2 octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, corners with two equivalent O(10)Sr2MgTi2 trigonal bipyramids, edges with four equivalent O(2)Sr5Ti octahedra, edges with four equivalent O(3)Sr5Ti octahedra, faces with two equivalent O(1)Sr4Ti2 octahedra, and faces with two equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Ti(1), and one Ti(3) atom to form distorted OSr4Ti2 octahedra that share  a cornercorner with one O(3)Sr5Ti octahedra, corners with four equivalent O(1)Sr4Ti2 octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(8)Sr4Ti2 octahedra, edges with four equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(1)Sr4Ti2 octahedra, and faces with two equivalent O(8)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-58°. In the seventh O site, O(7) is bonded in a distorted square co-planar geometry to one Sr(2), two equivalent Mg(1), and one Ti(2) atom. In the eighth O site, O(8) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Ti(3) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(8)Sr4Ti2 octahedra, corners with two equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(6)Sr4Ti2 octahedra, corners with four equivalent O(3)Sr5Ti octahedra, edges with two equivalent O(8)Sr4Ti2 octahedra, faces with two equivalent O(6)Sr4Ti2 octahedra, faces with two equivalent O(3)Sr5Ti octahedra, and faces with four equivalent O(1)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 7-58°. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr(3) and two equivalent Ti(2) atoms. In the tenth O site, O(10) is bonded to two equivalent Sr(3), one Mg(1), and two equivalent Ti(2) atoms to form distorted OSr2MgTi2 trigonal bipyramids that share corners with two equivalent O(3)Sr5Ti octahedra, corners with four equivalent O(2)Sr5Ti octahedra, corners with four equivalent O(10)Sr2MgTi2 trigonal bipyramids, and faces with two equivalent O(2)Sr5Ti octahedra. The corner-sharing octahedral tilt angles range from 46-54°.