PrTi2O6 crystallizes in the orthorhombic Pmn2_1 space group. 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 10-22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms.
PrTi2O6 crystallizes in the orthorhombic Pmn2_1 space group. 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 2.44 Å. The Pr(1)-O(4) bond length is 2.46 Å. Both Pr(1)-O(2) bond lengths are 2.48 Å. There are two shorter (2.58 Å) and two longer (2.65 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 10-22°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(4) bond length is 1.94 Å. There is one shorter (1.88 Å) and one longer (1.92 Å) Ti(1)-O(2) bond length. There is one shorter (1.99 Å) and one longer (2.02 Å) Ti(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ti(1) atoms.