MgAl4(HO)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one H(1), one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form edge-sharing AlO6 octahedra. In the second Al site, Al(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form edge-sharing AlO6 octahedra. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one O(12), one O(4), one O(5), one O(6), and one O(9) atom. In the fourth Al site, Al(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form edge-sharing AlO6 octahedra. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Mg(1) and one O(1) atom. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one H(12), one H(3), and one H(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one H(2) and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one H(2) and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one H(2) and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Mg(1), one Al(3), one Al(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Al(3), one Al(4), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one H(7) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), one Al(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), one Al(3), and one H(9) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(4), and one H(10) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Al(2), one Al(4), and one H(11) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one H(12) atom.
MgAl4(HO)12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one H(1), one O(1), one O(10), one O(2), one O(5), one O(8), and one O(9) atom. The Mg(1)-H(1) bond length is 2.09 Å. The Mg(1)-O(1) bond length is 2.09 Å. The Mg(1)-O(10) bond length is 2.29 Å. The Mg(1)-O(2) bond length is 2.06 Å. The Mg(1)-O(5) bond length is 2.26 Å. The Mg(1)-O(8) bond length is 2.09 Å. The Mg(1)-O(9) bond length is 2.19 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form edge-sharing AlO6 octahedra. The Al(1)-O(1) bond length is 1.88 Å. The Al(1)-O(12) bond length is 1.90 Å. The Al(1)-O(4) bond length is 1.99 Å. The Al(1)-O(7) bond length is 1.94 Å. The Al(1)-O(8) bond length is 1.96 Å. The Al(1)-O(9) bond length is 1.94 Å. In the second Al site, Al(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form edge-sharing AlO6 octahedra. The Al(2)-O(10) bond length is 2.04 Å. The Al(2)-O(11) bond length is 1.89 Å. The Al(2)-O(2) bond length is 1.86 Å. The Al(2)-O(3) bond length is 1.84 Å. The Al(2)-O(7) bond length is 1.93 Å. The Al(2)-O(8) bond length is 2.00 Å. In the third Al site, Al(3) is bonded in a 5-coordinate geometry to one O(12), one O(4), one O(5), one O(6), and one O(9) atom. The Al(3)-O(12) bond length is 1.85 Å. The Al(3)-O(4) bond length is 1.86 Å. The Al(3)-O(5) bond length is 1.89 Å. The Al(3)-O(6) bond length is 1.86 Å. The Al(3)-O(9) bond length is 1.93 Å. In the fourth Al site, Al(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(6) atom to form edge-sharing AlO6 octahedra. The Al(4)-O(10) bond length is 1.91 Å. The Al(4)-O(11) bond length is 1.97 Å. The Al(4)-O(2) bond length is 1.83 Å. The Al(4)-O(3) bond length is 1.86 Å. The Al(4)-O(5) bond length is 2.12 Å. The Al(4)-O(6) bond length is 2.00 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Mg(1) and one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. In the second H site, H(2) is bonded in a distorted T-shaped geometry to one H(12), one H(3), and one H(9) atom. The H(2)-H(12) bond length is 1.38 Å. The H(2)-H(3) bond length is 1.37 Å. The H(2)-H(9) bond length is 1.38 Å. In the third H site, H(3) is bonded in a single-bond geometry to one H(2) and one O(3) atom. The H(3)-O(3) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. The H(4)-O(4) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. The H(5)-O(5) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. The H(6)-O(6) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. The H(7)-O(7) bond length is 0.98 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. The H(8)-O(8) bond length is 0.98 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one H(2) and one O(9) atom. The H(9)-O(9) bond length is 1.02 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(10) atom. The H(10)-O(10) bond length is 0.97 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(11) atom. The H(11)-O(11) bond length is 0.97 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one H(2) and one O(12) atom. The H(12)-O(12) bond length is 1.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Al(2), and one Al(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(2), one Al(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Mg(1), one Al(3), one Al(4), and one H(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Al(3), one Al(4), and one H(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(2), and one H(7) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), one Al(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mg(1), one Al(1), one Al(3), and one H(9) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(4), and one H(10) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Al(2), one Al(4), and one H(11) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one H(12) atom.