MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(13), one O(3), one O(6), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(7) atom. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the third V site, V(3) is bonded to one O(11), one O(13), one O(2), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-59°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one P(1) atom.
MgV4P2O13 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(13), one O(3), one O(6), one O(8), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. The Mg(1)-O(10) bond length is 2.00 Å. The Mg(1)-O(13) bond length is 2.06 Å. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(6) bond length is 2.18 Å. The Mg(1)-O(8) bond length is 2.16 Å. The Mg(1)-O(9) bond length is 1.95 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(7) atom. The V(1)-O(1) bond length is 2.45 Å. The V(1)-O(12) bond length is 2.00 Å. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(4) bond length is 1.94 Å. The V(1)-O(5) bond length is 1.67 Å. The V(1)-O(7) bond length is 2.15 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. The V(2)-O(1) bond length is 2.01 Å. The V(2)-O(10) bond length is 1.82 Å. The V(2)-O(3) bond length is 1.79 Å. The V(2)-O(4) bond length is 1.89 Å. The V(2)-O(6) bond length is 2.15 Å. The V(2)-O(8) bond length is 2.37 Å. In the third V site, V(3) is bonded to one O(11), one O(13), one O(2), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. The V(3)-O(11) bond length is 1.98 Å. The V(3)-O(13) bond length is 2.23 Å. The V(3)-O(2) bond length is 2.19 Å. The V(3)-O(5) bond length is 1.99 Å. The V(3)-O(7) bond length is 2.12 Å. The V(3)-O(9) bond length is 1.89 Å. In the fourth V site, V(4) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. The V(4)-O(10) bond length is 1.93 Å. The V(4)-O(3) bond length is 1.98 Å. The V(4)-O(4) bond length is 2.10 Å. The V(4)-O(6) bond length is 2.24 Å. The V(4)-O(8) bond length is 2.23 Å. The V(4)-O(9) bond length is 1.96 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(2), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with three equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-59°. The P(1)-O(11) bond length is 1.52 Å. The P(1)-O(13) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(6) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(1), one O(12), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(12) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.58 Å. The P(2)-O(8) bond length is 1.58 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one V(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), one V(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Mg(1), one V(2), and one V(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one P(1) atom.