MgVFe(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted pentagonal planar geometry to one O(14), one O(2), one O(5), one O(6), and one O(9) atom. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Fe(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom.
MgVFe(P2O7)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted pentagonal planar geometry to one O(14), one O(2), one O(5), one O(6), and one O(9) atom. The Mg(1)-O(14) bond length is 2.14 Å. The Mg(1)-O(2) bond length is 2.09 Å. The Mg(1)-O(5) bond length is 2.03 Å. The Mg(1)-O(6) bond length is 2.15 Å. The Mg(1)-O(9) bond length is 2.10 Å. V(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The V(1)-O(1) bond length is 1.97 Å. The V(1)-O(12) bond length is 2.01 Å. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(4) bond length is 1.96 Å. The V(1)-O(5) bond length is 2.20 Å. The V(1)-O(6) bond length is 2.15 Å. Fe(1) is bonded to one O(10), one O(11), one O(13), one O(14), one O(3), and one O(9) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Fe(1)-O(10) bond length is 1.94 Å. The Fe(1)-O(11) bond length is 1.99 Å. The Fe(1)-O(13) bond length is 1.95 Å. The Fe(1)-O(14) bond length is 2.14 Å. The Fe(1)-O(3) bond length is 1.93 Å. The Fe(1)-O(9) bond length is 2.39 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. The P(1)-O(10) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(14), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-54°. The P(2)-O(14) bond length is 1.53 Å. The P(2)-O(2) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.61 Å. The P(2)-O(9) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(1), one O(13), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. The P(3)-O(1) bond length is 1.53 Å. The P(3)-O(13) bond length is 1.51 Å. The P(3)-O(6) bond length is 1.57 Å. The P(3)-O(7) bond length is 1.61 Å. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-52°. The P(4)-O(11) bond length is 1.51 Å. The P(4)-O(12) bond length is 1.52 Å. The P(4)-O(5) bond length is 1.56 Å. The P(4)-O(8) bond length is 1.63 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Fe(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(1), and one P(2) atom.