PrV2O6 crystallizes in the monoclinic P2_1 space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom.
PrV2O6 crystallizes in the monoclinic P2_1 space group. Pr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.48 Å) and one longer (2.96 Å) Pr(1)-O(1) bond length. There is one shorter (2.45 Å) and one longer (3.03 Å) Pr(1)-O(2) bond length. There is one shorter (2.48 Å) and one longer (3.17 Å) Pr(1)-O(3) bond length. There is one shorter (2.57 Å) and one longer (2.78 Å) Pr(1)-O(4) bond length. There is one shorter (2.51 Å) and one longer (2.68 Å) Pr(1)-O(5) bond length. There is one shorter (2.56 Å) and one longer (2.91 Å) Pr(1)-O(6) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-24°. The V(1)-O(1) bond length is 1.98 Å. The V(1)-O(6) bond length is 2.02 Å. There is one shorter (1.86 Å) and one longer (1.96 Å) V(1)-O(2) bond length. There is one shorter (1.85 Å) and one longer (2.05 Å) V(1)-O(5) bond length. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 11-26°. The V(2)-O(1) bond length is 1.88 Å. The V(2)-O(6) bond length is 1.84 Å. There is one shorter (1.77 Å) and one longer (2.08 Å) V(2)-O(3) bond length. There is one shorter (1.77 Å) and one longer (2.17 Å) V(2)-O(4) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Pr(1) and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Pr(1), one V(1), and one V(2) atom.