MgPrTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms.
MgPrTi2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Mg(1)-O(1) bond length is 2.34 Å. The Mg(1)-O(4) bond length is 2.13 Å. Both Mg(1)-O(2) bond lengths are 2.46 Å. Both Mg(1)-O(3) bond lengths are 2.19 Å. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. The Pr(1)-O(1) bond length is 2.36 Å. The Pr(1)-O(4) bond length is 2.49 Å. Both Pr(1)-O(2) bond lengths are 2.39 Å. There are two shorter (2.61 Å) and two longer (2.73 Å) Pr(1)-O(3) bond lengths. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. The Ti(1)-O(1) bond length is 1.99 Å. The Ti(1)-O(4) bond length is 2.05 Å. There is one shorter (1.95 Å) and one longer (1.97 Å) Ti(1)-O(2) bond length. Both Ti(1)-O(3) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Mg(1), one Pr(1), and two equivalent Ti(1) atoms.