MgPrV2O6 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), one V(1), and one V(2) atom to form distorted corner-sharing OPrMgV2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one V(1), and one V(2) atom to form distorted corner-sharing OPrMgV2 tetrahedra.
MgPrV2O6 crystallizes in the monoclinic Pc space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mg(1)-O(1) bond length is 2.24 Å. The Mg(1)-O(2) bond length is 2.40 Å. The Mg(1)-O(3) bond length is 2.41 Å. The Mg(1)-O(4) bond length is 2.23 Å. The Mg(1)-O(5) bond length is 2.17 Å. The Mg(1)-O(6) bond length is 2.12 Å. Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Pr(1)-O(1) bond length is 2.34 Å. The Pr(1)-O(2) bond length is 2.39 Å. The Pr(1)-O(3) bond length is 2.38 Å. The Pr(1)-O(6) bond length is 2.46 Å. There is one shorter (2.62 Å) and one longer (2.70 Å) Pr(1)-O(4) bond length. There is one shorter (2.60 Å) and one longer (2.74 Å) Pr(1)-O(5) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. The V(1)-O(1) bond length is 2.01 Å. The V(1)-O(2) bond length is 1.86 Å. The V(1)-O(3) bond length is 1.94 Å. The V(1)-O(4) bond length is 1.94 Å. The V(1)-O(5) bond length is 2.07 Å. The V(1)-O(6) bond length is 2.04 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. The V(2)-O(1) bond length is 2.01 Å. The V(2)-O(2) bond length is 2.05 Å. The V(2)-O(3) bond length is 1.97 Å. The V(2)-O(4) bond length is 2.15 Å. The V(2)-O(5) bond length is 2.02 Å. The V(2)-O(6) bond length is 2.06 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Pr(1), one V(1), and one V(2) atom to form distorted corner-sharing OPrMgV2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Pr(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Pr(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Pr(1), one V(1), and one V(2) atom to form distorted corner-sharing OPrMgV2 tetrahedra.