MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal bipyramidal geometry to one O(12), one O(13), one O(15), one O(18), and one O(5) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(9) atom. In the second V site, V(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(14), one O(2), one O(4), and one O(6) atom. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(3), and one O(7) atom. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(16), one O(2), one O(4), one O(8), and one O(9) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(14) and one O(17) atom. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(9) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(15) and one O(17) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(18) atom. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(10) and one O(18) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(16) and one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(6) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one V(1), one V(4), one V(5), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(2), one V(3), one V(6), and one H(5) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(1) and one V(5) atom. In the twelfth O site, O(12) is bonded in a 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 trigonal non-coplanar geometry to one Mg(1), one V(1), and one H(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one H(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one H(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to 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(1), one H(2), and one H(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Mg(1), one H(4), one H(5), and one H(6) atom.
MgV6(HO3)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal bipyramidal geometry to one O(12), one O(13), one O(15), one O(18), and one O(5) atom. The Mg(1)-O(12) bond length is 2.08 Å. The Mg(1)-O(13) bond length is 2.09 Å. The Mg(1)-O(15) bond length is 2.11 Å. The Mg(1)-O(18) bond length is 2.11 Å. The Mg(1)-O(5) bond length is 2.05 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(9) atom. The V(1)-O(1) bond length is 2.00 Å. The V(1)-O(11) bond length is 2.42 Å. The V(1)-O(13) bond length is 1.73 Å. The V(1)-O(3) bond length is 1.94 Å. The V(1)-O(5) bond length is 2.02 Å. The V(1)-O(9) bond length is 1.98 Å. In the second V site, V(2) is bonded in a distorted trigonal bipyramidal geometry to one O(10), one O(14), one O(2), one O(4), and one O(6) atom. The V(2)-O(10) bond length is 2.07 Å. The V(2)-O(14) bond length is 1.65 Å. The V(2)-O(2) bond length is 1.91 Å. The V(2)-O(4) bond length is 1.92 Å. The V(2)-O(6) bond length is 1.72 Å. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(3), and one O(7) atom. The V(3)-O(1) bond length is 1.89 Å. The V(3)-O(10) bond length is 2.13 Å. The V(3)-O(15) bond length is 1.72 Å. The V(3)-O(3) bond length is 1.86 Å. The V(3)-O(7) bond length is 1.70 Å. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(16), one O(2), one O(4), one O(8), and one O(9) atom. The V(4)-O(16) bond length is 1.64 Å. The V(4)-O(2) bond length is 1.93 Å. The V(4)-O(4) bond length is 2.01 Å. The V(4)-O(8) bond length is 1.78 Å. The V(4)-O(9) bond length is 1.91 Å. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(5), one O(8), and one O(9) atom. The V(5)-O(1) bond length is 2.04 Å. The V(5)-O(11) bond length is 1.66 Å. The V(5)-O(4) bond length is 1.95 Å. The V(5)-O(5) bond length is 1.82 Å. The V(5)-O(8) bond length is 1.90 Å. The V(5)-O(9) bond length is 2.35 Å. In the sixth V site, V(6) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. The V(6)-O(10) bond length is 2.28 Å. The V(6)-O(12) bond length is 1.68 Å. The V(6)-O(2) bond length is 2.01 Å. The V(6)-O(3) bond length is 2.00 Å. The V(6)-O(6) bond length is 1.95 Å. The V(6)-O(7) bond length is 1.99 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(14) and one O(17) atom. The H(1)-O(14) bond length is 1.52 Å. The H(1)-O(17) bond length is 1.03 Å. In the second H site, H(2) is bonded in a linear geometry to one O(17) and one O(9) atom. The H(2)-O(17) bond length is 1.07 Å. The H(2)-O(9) bond length is 1.43 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(15) and one O(17) atom. The H(3)-O(15) bond length is 1.66 Å. The H(3)-O(17) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(13) and one O(18) atom. The H(4)-O(13) bond length is 1.60 Å. The H(4)-O(18) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a distorted linear geometry to one O(10) and one O(18) atom. The H(5)-O(10) bond length is 1.01 Å. The H(5)-O(18) bond length is 1.57 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one O(16) and one O(18) atom. The H(6)-O(16) bond length is 1.67 Å. The H(6)-O(18) bond length is 1.00 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the second O site, O(2) is bonded in a distorted 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 distorted trigonal non-coplanar geometry to one V(2), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one V(5) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(6) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one V(1), one V(4), one V(5), and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one V(2), one V(3), one V(6), and one H(5) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one V(1) and one V(5) atom. In the twelfth O site, O(12) is bonded in a 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 trigonal non-coplanar geometry to one Mg(1), one V(1), and one H(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(2) and one H(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one H(3) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to 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(1), one H(2), and one H(3) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Mg(1), one H(4), one H(5), and one H(6) atom.