MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(18) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(3), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(10), one O(14), one O(2), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(1), one O(10), one O(15), one O(3), and one O(7) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. In the fourth V site, V(4) is bonded to one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. In the sixth V site, V(6) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing VO5 trigonal bipyramids. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(18) and one O(7) atom. In the second H site, H(2) is bonded in a linear geometry to one O(14) and one O(17) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(17) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) and one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(18) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(14) and one O(16) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(5) and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one H(2), and one H(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one H(6) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom.
MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(18) atom. The Mg(1)-O(10) bond length is 2.38 Å. The Mg(1)-O(12) bond length is 2.10 Å. The Mg(1)-O(13) bond length is 2.20 Å. The Mg(1)-O(15) bond length is 2.25 Å. The Mg(1)-O(16) bond length is 2.20 Å. The Mg(1)-O(18) bond length is 2.05 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(3), one O(5), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. The V(1)-O(1) bond length is 1.93 Å. The V(1)-O(13) bond length is 1.69 Å. The V(1)-O(3) bond length is 1.95 Å. The V(1)-O(5) bond length is 1.73 Å. The V(1)-O(9) bond length is 1.96 Å. In the second V site, V(2) is bonded to one O(10), one O(14), one O(2), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. The V(2)-O(10) bond length is 1.90 Å. The V(2)-O(14) bond length is 1.69 Å. The V(2)-O(2) bond length is 1.93 Å. The V(2)-O(4) bond length is 1.98 Å. The V(2)-O(6) bond length is 1.72 Å. In the third V site, V(3) is bonded to one O(1), one O(10), one O(15), one O(3), and one O(7) atom to form a mixture of corner and edge-sharing VO5 trigonal bipyramids. The V(3)-O(1) bond length is 1.95 Å. The V(3)-O(10) bond length is 1.88 Å. The V(3)-O(15) bond length is 1.69 Å. The V(3)-O(3) bond length is 1.90 Å. The V(3)-O(7) bond length is 1.76 Å. In the fourth V site, V(4) is bonded to one O(16), one O(2), one O(4), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing VO5 trigonal bipyramids. The V(4)-O(16) bond length is 1.88 Å. The V(4)-O(2) bond length is 1.99 Å. The V(4)-O(4) bond length is 1.92 Å. The V(4)-O(8) bond length is 1.69 Å. The V(4)-O(9) bond length is 1.78 Å. In the fifth V site, V(5) is bonded to one O(1), one O(11), one O(4), one O(5), and one O(8) atom to form distorted corner-sharing VO5 trigonal bipyramids. The V(5)-O(1) bond length is 1.99 Å. The V(5)-O(11) bond length is 1.65 Å. The V(5)-O(4) bond length is 1.98 Å. The V(5)-O(5) bond length is 1.95 Å. The V(5)-O(8) bond length is 1.99 Å. In the sixth V site, V(6) is bonded to one O(12), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing VO5 trigonal bipyramids. The V(6)-O(12) bond length is 1.66 Å. The V(6)-O(2) bond length is 1.96 Å. The V(6)-O(3) bond length is 1.99 Å. The V(6)-O(6) bond length is 1.97 Å. The V(6)-O(7) bond length is 1.97 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(18) and one O(7) atom. The H(1)-O(18) bond length is 0.99 Å. The H(1)-O(7) bond length is 1.75 Å. In the second H site, H(2) is bonded in a linear geometry to one O(14) and one O(17) atom. The H(2)-O(14) bond length is 1.47 Å. The H(2)-O(17) bond length is 1.05 Å. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(17) atom. The H(3)-O(11) bond length is 1.48 Å. The H(3)-O(17) bond length is 1.04 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(15) and one O(17) atom. The H(4)-O(15) bond length is 1.51 Å. The H(4)-O(17) bond length is 1.03 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(18) atom. The H(5)-O(18) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(14) and one O(16) atom. The H(6)-O(14) bond length is 1.68 Å. The H(6)-O(16) bond length is 1.01 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one V(6), and one H(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(1) and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(5) and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one V(2), one H(2), and one H(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(3), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(4), and one H(6) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), and one H(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(5) atom.