LiMn3Al2(HO2)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(12), one O(2), one O(8), one O(9), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(7), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form AlO6 octahedra that share  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. In the second Al site, Al(2) is bonded to one O(12), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) and one O(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one H(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(6) atom.
LiMn3Al2(HO2)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(12), one O(2), one O(8), one O(9), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. The Li(1)-O(12) bond length is 2.11 Å. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(8) bond length is 2.17 Å. The Li(1)-O(9) bond length is 2.22 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Li(1)-O(5) bond length. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(3), one O(4), one O(7), and two equivalent O(1) atoms to form edge-sharing MnO6 octahedra. The Mn(1)-O(11) bond length is 1.92 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(4) bond length is 1.96 Å. The Mn(1)-O(7) bond length is 1.98 Å. There is one shorter (1.98 Å) and one longer (1.99 Å) Mn(1)-O(1) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(7), and two equivalent O(4) atoms to form edge-sharing MnO6 octahedra. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(10) bond length is 1.98 Å. The Mn(2)-O(3) bond length is 2.00 Å. The Mn(2)-O(7) bond length is 1.96 Å. There is one shorter (1.96 Å) and one longer (2.02 Å) Mn(2)-O(4) bond length. In the third Mn site, Mn(3) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. Both Mn(3)-O(10) bond lengths are 1.97 Å. Both Mn(3)-O(11) bond lengths are 2.17 Å. Both Mn(3)-O(3) bond lengths are 1.97 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. Both Mn(4)-O(10) bond lengths are 1.96 Å. Both Mn(4)-O(11) bond lengths are 1.95 Å. Both Mn(4)-O(7) bond lengths are 1.96 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form AlO6 octahedra that share  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The Al(1)-O(12) bond length is 1.94 Å. The Al(1)-O(5) bond length is 1.82 Å. The Al(1)-O(6) bond length is 2.02 Å. The Al(1)-O(8) bond length is 1.94 Å. There is one shorter (1.90 Å) and one longer (1.93 Å) Al(1)-O(2) bond length. In the second Al site, Al(2) is bonded to one O(12), one O(8), two equivalent O(6), and two equivalent O(9) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. The Al(2)-O(12) bond length is 1.89 Å. The Al(2)-O(8) bond length is 1.88 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Al(2)-O(6) bond length. Both Al(2)-O(9) bond lengths are 1.90 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. The H(2)-O(5) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) and one O(6) atom. The H(3)-O(11) bond length is 1.73 Å. The H(3)-O(6) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. The H(4)-O(8) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. The H(5)-O(9) bond length is 0.98 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. The H(6)-O(12) bond length is 0.98 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), and one H(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(6) atom.