MgV5(MoO5)5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(19), one O(20), one O(24), and one O(25) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(23), one O(25), one O(3), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-29°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(7), one O(8), and one O(9) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(19) atom. In the fifth V site, V(5) is bonded to one O(17), one O(18), one O(19), one O(20), one O(22), and one O(24) atom to form distorted VO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-27°. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(4) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-29°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(16), and one O(8) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-38°. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(15), one O(16), one O(17), one O(18), and one O(21) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-38°. In the fifth Mo site, Mo(5) is bonded to one O(18), one O(20), one O(21), one O(22), one O(23), and one O(25) atom to form MoO6 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-29°. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Mo(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(3) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(3) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(4), one Mo(3), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one V(3) and one V(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(4) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Mo(3) and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one Mo(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one V(5), one Mo(4), and one Mo(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(5) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Mg(1), one V(5), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Mo(4) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one V(5), one Mo(1), and one Mo(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one V(5), and one Mo(1) atom. In the twenty-fifth O site, O(25) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(5) atom.
MgV5(MoO5)5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(19), one O(20), one O(24), and one O(25) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one V(5)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. The Mg(1)-O(1) bond length is 2.13 Å. The Mg(1)-O(19) bond length is 2.24 Å. The Mg(1)-O(20) bond length is 2.04 Å. The Mg(1)-O(24) bond length is 2.13 Å. The Mg(1)-O(25) bond length is 2.10 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(23), one O(25), one O(3), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 19-29°. The V(1)-O(1) bond length is 2.04 Å. The V(1)-O(2) bond length is 2.14 Å. The V(1)-O(23) bond length is 2.01 Å. The V(1)-O(25) bond length is 1.95 Å. The V(1)-O(3) bond length is 1.95 Å. The V(1)-O(6) bond length is 2.07 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The V(2)-O(11) bond length is 2.31 Å. The V(2)-O(3) bond length is 1.96 Å. The V(2)-O(5) bond length is 2.02 Å. The V(2)-O(6) bond length is 1.68 Å. The V(2)-O(7) bond length is 2.07 Å. The V(2)-O(8) bond length is 2.01 Å. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(7), one O(8), and one O(9) atom. The V(3)-O(10) bond length is 2.01 Å. The V(3)-O(12) bond length is 1.99 Å. The V(3)-O(14) bond length is 1.67 Å. The V(3)-O(7) bond length is 2.03 Å. The V(3)-O(8) bond length is 2.06 Å. The V(3)-O(9) bond length is 2.31 Å. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(19) atom. The V(4)-O(12) bond length is 1.93 Å. The V(4)-O(13) bond length is 2.05 Å. The V(4)-O(14) bond length is 2.22 Å. The V(4)-O(15) bond length is 1.95 Å. The V(4)-O(17) bond length is 1.98 Å. The V(4)-O(19) bond length is 1.76 Å. In the fifth V site, V(5) is bonded to one O(17), one O(18), one O(19), one O(20), one O(22), and one O(24) atom to form distorted VO6 octahedra that share  a cornercorner with one Mo(5)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-27°. The V(5)-O(17) bond length is 1.93 Å. The V(5)-O(18) bond length is 2.05 Å. The V(5)-O(19) bond length is 2.21 Å. The V(5)-O(20) bond length is 1.90 Å. The V(5)-O(22) bond length is 2.11 Å. The V(5)-O(24) bond length is 1.74 Å. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(22), one O(23), one O(24), and one O(4) atom to form distorted MoO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-29°. The Mo(1)-O(1) bond length is 1.84 Å. The Mo(1)-O(2) bond length is 1.97 Å. The Mo(1)-O(22) bond length is 1.95 Å. The Mo(1)-O(23) bond length is 2.08 Å. The Mo(1)-O(24) bond length is 2.30 Å. The Mo(1)-O(4) bond length is 1.74 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-29°. The Mo(2)-O(2) bond length is 2.04 Å. The Mo(2)-O(3) bond length is 2.12 Å. The Mo(2)-O(4) bond length is 2.26 Å. The Mo(2)-O(5) bond length is 1.81 Å. The Mo(2)-O(7) bond length is 1.93 Å. The Mo(2)-O(9) bond length is 1.74 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(16), and one O(8) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 14-38°. The Mo(3)-O(10) bond length is 1.80 Å. The Mo(3)-O(11) bond length is 1.75 Å. The Mo(3)-O(12) bond length is 2.13 Å. The Mo(3)-O(13) bond length is 2.03 Å. The Mo(3)-O(16) bond length is 2.23 Å. The Mo(3)-O(8) bond length is 1.92 Å. In the fourth Mo site, Mo(4) is bonded to one O(13), one O(15), one O(16), one O(17), one O(18), and one O(21) atom to form distorted MoO6 octahedra that share corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-38°. The Mo(4)-O(13) bond length is 2.01 Å. The Mo(4)-O(15) bond length is 1.80 Å. The Mo(4)-O(16) bond length is 1.75 Å. The Mo(4)-O(17) bond length is 2.08 Å. The Mo(4)-O(18) bond length is 1.92 Å. The Mo(4)-O(21) bond length is 2.23 Å. In the fifth Mo site, Mo(5) is bonded to one O(18), one O(20), one O(21), one O(22), one O(23), and one O(25) atom to form MoO6 octahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  an edgeedge with one V(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-29°. The Mo(5)-O(18) bond length is 2.10 Å. The Mo(5)-O(20) bond length is 1.99 Å. The Mo(5)-O(21) bond length is 1.81 Å. The Mo(5)-O(22) bond length is 2.10 Å. The Mo(5)-O(23) bond length is 2.00 Å. The Mo(5)-O(25) bond length is 2.01 Å. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Mo(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(1) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one V(3), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(3) and one Mo(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(3) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one V(2) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(3), one V(4), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(4), one Mo(3), and one Mo(4) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one V(3) and one V(4) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one V(4) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Mo(3) and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one V(4), one V(5), and one Mo(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one V(5), one Mo(4), and one Mo(5) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(4), and one V(5) atom. In the twentieth O site, O(20) is bonded in a T-shaped geometry to one Mg(1), one V(5), and one Mo(5) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Mo(4) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one V(5), one Mo(1), and one Mo(5) atom. In the twenty-third O site, O(23) is bonded in a distorted T-shaped geometry to one V(1), one Mo(1), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a distorted T-shaped geometry to one Mg(1), one V(5), and one Mo(1) atom. In the twenty-fifth O site, O(25) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Mo(5) atom.