Sr2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Ti(1), and one Ti(2) atom.
Sr2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.55 Å. The Sr(1)-O(2) bond length is 2.49 Å. The Sr(1)-O(4) bond length is 2.61 Å. The Sr(1)-O(5) bond length is 2.56 Å. The Sr(1)-O(6) bond length is 2.59 Å. There is one shorter (2.69 Å) and one longer (3.21 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. The Sr(2)-O(2) bond length is 2.56 Å. The Sr(2)-O(3) bond length is 2.56 Å. The Sr(2)-O(4) bond length is 2.98 Å. The Sr(2)-O(5) bond length is 2.73 Å. The Sr(2)-O(6) bond length is 2.62 Å. There is one shorter (2.65 Å) and one longer (3.10 Å) Sr(2)-O(1) bond length. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. The Mg(1)-O(1) bond length is 2.02 Å. The Mg(1)-O(2) bond length is 1.99 Å. The Mg(1)-O(4) bond length is 1.99 Å. The Mg(1)-O(5) bond length is 1.95 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. The Ti(1)-O(2) bond length is 1.93 Å. The Ti(1)-O(3) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 1.96 Å. The Ti(1)-O(6) bond length is 1.86 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O4 tetrahedra. The Ti(2)-O(1) bond length is 1.92 Å. The Ti(2)-O(3) bond length is 2.00 Å. The Ti(2)-O(4) bond length is 2.07 Å. The Ti(2)-O(5) bond length is 1.97 Å. The Ti(2)-O(6) bond length is 2.17 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Ti(1), and one Ti(2) atom.