MgTi2(Bi2O5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded to one Ti(2), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OTiBi3 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(1), one Bi(1), and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OTiBi3 tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Bi(1), and one Bi(2) atom.
MgTi2(Bi2O5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(1) atoms. The Mg(1)-O(4) bond length is 2.06 Å. There are two shorter (2.36 Å) and two longer (2.41 Å) Mg(1)-O(1) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. Both Ti(1)-O(1) bond lengths are 2.01 Å. There is one shorter (1.97 Å) and one longer (2.00 Å) Ti(1)-O(4) bond length. Both Ti(1)-O(5) bond lengths are 2.00 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. Both Ti(2)-O(2) bond lengths are 2.17 Å. There is one shorter (2.04 Å) and one longer (2.07 Å) Ti(2)-O(3) bond length. Both Ti(2)-O(6) bond lengths are 1.88 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. The Bi(1)-O(1) bond length is 2.36 Å. The Bi(1)-O(3) bond length is 2.63 Å. The Bi(1)-O(5) bond length is 2.28 Å. The Bi(1)-O(6) bond length is 2.77 Å. Both Bi(1)-O(2) bond lengths are 2.24 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(6), and two equivalent O(5) atoms. The Bi(2)-O(1) bond length is 2.62 Å. The Bi(2)-O(2) bond length is 2.52 Å. The Bi(2)-O(6) bond length is 2.18 Å. Both Bi(2)-O(5) bond lengths are 2.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded to one Ti(2), one Bi(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OTiBi3 tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ti(2) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded to one Ti(1), one Bi(1), and two equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OTiBi3 tetrahedra. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(2), one Bi(1), and one Bi(2) atom.