MgTb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Tb(1), and one Ti(1) atom to form distorted corner-sharing OTb2MgTi trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom.
MgTb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Both Mg(1)-O(1) bond lengths are 2.10 Å. Both Mg(1)-O(2) bond lengths are 2.09 Å. Both Mg(1)-O(3) bond lengths are 2.10 Å. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.26 Å) and one longer (2.33 Å) Tb(1)-O(1) bond length. There are a spread of Tb(1)-O(2) bond distances ranging from 2.31-2.81 Å. There are a spread of Tb(1)-O(3) bond distances ranging from 2.30-2.69 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Both Ti(1)-O(1) bond lengths are 1.98 Å. Both Ti(1)-O(2) bond lengths are 2.00 Å. Both Ti(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Tb(1), and one Ti(1) atom to form distorted corner-sharing OTb2MgTi trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom.