Ba2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Ti(2), one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to one Ba(1), one O(1), one O(2), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom.
Ba2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Ti(2), one O(1), one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. The Ba(1)-Ti(2) bond length is 3.40 Å. The Ba(1)-O(1) bond length is 2.81 Å. The Ba(1)-O(2) bond length is 2.82 Å. The Ba(1)-O(5) bond length is 2.82 Å. Both Ba(1)-O(3) bond lengths are 3.13 Å. There is one shorter (3.11 Å) and one longer (3.14 Å) Ba(1)-O(4) bond length. There is one shorter (3.12 Å) and one longer (3.14 Å) Ba(1)-O(6) bond length. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. The Ba(2)-O(3) bond length is 3.01 Å. The Ba(2)-O(4) bond length is 3.00 Å. The Ba(2)-O(6) bond length is 3.02 Å. There is one shorter (3.05 Å) and one longer (3.07 Å) Ba(2)-O(1) bond length. There is one shorter (3.06 Å) and one longer (3.07 Å) Ba(2)-O(2) bond length. There is one shorter (3.06 Å) and one longer (3.07 Å) Ba(2)-O(5) bond length. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one O(4), and one O(6) atom. The Mg(1)-O(3) bond length is 1.93 Å. The Mg(1)-O(4) bond length is 1.93 Å. The Mg(1)-O(6) bond length is 1.93 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ti(1)-O(1) bond length is 2.21 Å. The Ti(1)-O(2) bond length is 2.21 Å. The Ti(1)-O(3) bond length is 1.87 Å. The Ti(1)-O(4) bond length is 1.87 Å. The Ti(1)-O(5) bond length is 2.21 Å. The Ti(1)-O(6) bond length is 1.87 Å. In the second Ti site, Ti(2) is bonded in a trigonal planar geometry to one Ba(1), one O(1), one O(2), and one O(5) atom. The Ti(2)-O(1) bond length is 1.83 Å. The Ti(2)-O(2) bond length is 1.83 Å. The Ti(2)-O(5) bond length is 1.83 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(2), one Ti(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(2), two equivalent Ba(1), one Mg(1), and one Ti(1) atom.