PrTaO4 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms.
PrTaO4 crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), three equivalent O(1), and three equivalent O(2) atoms. The Pr(1)-O(3) bond length is 2.49 Å. The Pr(1)-O(4) bond length is 2.69 Å. There are a spread of Pr(1)-O(1) bond distances ranging from 2.38-2.83 Å. There are a spread of Pr(1)-O(2) bond distances ranging from 2.34-2.53 Å. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. The Ta(1)-O(1) bond length is 1.91 Å. The Ta(1)-O(2) bond length is 2.03 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Ta(1)-O(3) bond length. There is one shorter (1.96 Å) and one longer (2.06 Å) Ta(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Pr(1) and one Ta(1) atom. In the second O site, O(2) is bonded to three equivalent Pr(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OPr3Ta tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Ta(1) atoms.