Pr2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the second Pr site, Pr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Pr(2) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(6)Pr4 tetrahedra, corners with four equivalent O(1)Pr3Mo tetrahedra,  an edgeedge with one O(1)Pr3Mo tetrahedra, and edges with three equivalent O(6)Pr4 tetrahedra. In the fifth O site, O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom to form OPr3Mo tetrahedra that share corners with two equivalent O(1)Pr3Mo tetrahedra, corners with four equivalent O(6)Pr4 tetrahedra, and  an edgeedge with one O(6)Pr4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom.
Pr2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Both Pr(1)-O(1) bond lengths are 2.32 Å. Both Pr(1)-O(2) bond lengths are 2.58 Å. There are two shorter (2.49 Å) and two longer (2.58 Å) Pr(1)-O(5) bond lengths. In the second Pr site, Pr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. Both Pr(2)-O(1) bond lengths are 2.42 Å. Both Pr(2)-O(2) bond lengths are 2.84 Å. There are two shorter (2.35 Å) and two longer (2.49 Å) Pr(2)-O(6) bond lengths. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. The Pr(3)-O(1) bond length is 2.40 Å. The Pr(3)-O(2) bond length is 2.81 Å. There is one shorter (2.55 Å) and one longer (2.69 Å) Pr(3)-O(3) bond length. There is one shorter (2.50 Å) and one longer (2.55 Å) Pr(3)-O(4) bond length. There is one shorter (2.29 Å) and one longer (2.37 Å) Pr(3)-O(6) bond length. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Mo(1)-O(1) bond length is 2.20 Å. The Mo(1)-O(2) bond length is 1.82 Å. The Mo(1)-O(3) bond length is 1.80 Å. The Mo(1)-O(4) bond length is 1.82 Å. The Mo(1)-O(5) bond length is 1.79 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pr(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Pr(2) and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent O(6)Pr4 tetrahedra, corners with four equivalent O(1)Pr3Mo tetrahedra,  an edgeedge with one O(1)Pr3Mo tetrahedra, and edges with three equivalent O(6)Pr4 tetrahedra. In the fifth O site, O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom to form OPr3Mo tetrahedra that share corners with two equivalent O(1)Pr3Mo tetrahedra, corners with four equivalent O(6)Pr4 tetrahedra, and  an edgeedge with one O(6)Pr4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), and one Mo(1) atom.