The material described by LiMn3Al2(HO2)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) atoms to form 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 three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(6), one O(9), 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(11), one O(6), one O(9), and two equivalent O(10) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(6), one O(9), two equivalent O(11), and two equivalent O(2) 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(4), one O(7), one O(8), and two equivalent O(5) 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(7), one O(8), two equivalent O(12), and two equivalent O(3) 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) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) and 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 Mn(1), two equivalent Mn(3), and one H(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(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(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(3), and one H(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(2), and one H(6) atom. is represented by the CIF card [CIF]
data_LiMn3Al2(HO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   7.799
_cell_length_c   10.119
_cell_angle_alpha   109.597
_cell_angle_beta   89.268
_cell_angle_gamma   101.642
_symmetry_Int_Tables_number   1
_cell_volume   433.859
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.921  0.157  0.503  1.0
  Li  Li1  1  0.079  0.843  0.497  1.0
  Mn  Mn2  1  0.921  0.168  0.003  1.0
  Mn  Mn3  1  0.579  0.832  0.997  1.0
  Mn  Mn4  1  0.749  0.499  0.999  1.0
  Mn  Mn5  1  0.421  0.168  0.003  1.0
  Mn  Mn6  1  0.079  0.832  0.997  1.0
  Mn  Mn7  1  0.251  0.501  0.001  1.0
  Al  Al8  1  0.586  0.837  0.497  1.0
  Al  Al9  1  0.756  0.502  0.501  1.0
  Al  Al10  1  0.414  0.163  0.503  1.0
  Al  Al11  1  0.244  0.498  0.499  1.0
  H  H12  1  0.999  0.499  0.712  1.0
  H  H13  1  0.812  0.844  0.289  1.0
  H  H14  1  0.001  0.501  0.288  1.0
  H  H15  1  0.644  0.139  0.710  1.0
  H  H16  1  0.813  0.806  0.703  1.0
  H  H17  1  0.662  0.193  0.301  1.0
  H  H18  1  0.492  0.488  0.710  1.0
  H  H19  1  0.356  0.861  0.290  1.0
  H  H20  1  0.508  0.512  0.290  1.0
  H  H21  1  0.188  0.156  0.711  1.0
  H  H22  1  0.338  0.807  0.699  1.0
  H  H23  1  0.187  0.194  0.297  1.0
  O  O24  1  0.850  0.900  0.897  1.0
  O  O25  1  0.008  0.570  0.893  1.0
  O  O26  1  0.989  0.463  0.607  1.0
  O  O27  1  0.828  0.883  0.392  1.0
  O  O28  1  0.992  0.430  0.107  1.0
  O  O29  1  0.011  0.537  0.393  1.0
  O  O30  1  0.629  0.093  0.607  1.0
  O  O31  1  0.677  0.230  0.897  1.0
  O  O32  1  0.792  0.758  0.600  1.0
  O  O33  1  0.665  0.245  0.405  1.0
  O  O34  1  0.811  0.770  0.099  1.0
  O  O35  1  0.644  0.098  0.104  1.0
  O  O36  1  0.506  0.571  0.891  1.0
  O  O37  1  0.486  0.438  0.605  1.0
  O  O38  1  0.356  0.902  0.896  1.0
  O  O39  1  0.514  0.562  0.395  1.0
  O  O40  1  0.494  0.429  0.109  1.0
  O  O41  1  0.371  0.907  0.393  1.0
  O  O42  1  0.189  0.230  0.901  1.0
  O  O43  1  0.172  0.117  0.608  1.0
  O  O44  1  0.335  0.755  0.595  1.0
  O  O45  1  0.208  0.242  0.400  1.0
  O  O46  1  0.150  0.100  0.103  1.0
  O  O47  1  0.323  0.770  0.103  1.0
[/CIF]
.
The material described by LiMn3Al2(HO2)6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(5), one O(7), one O(8), and two equivalent O(4) atoms to form 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 three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(6), one O(9), 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(11), one O(6), one O(9), and two equivalent O(10) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(6), one O(9), two equivalent O(11), and two equivalent O(2) 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(4), one O(7), one O(8), and two equivalent O(5) 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(7), one O(8), two equivalent O(12), and two equivalent O(3) 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) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(8) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(11) and 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 Mn(1), two equivalent Mn(3), and one H(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Al(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Al(1), one Al(2), and one H(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(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(3), and one H(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Al(1), two equivalent Al(2), and one H(6) atom. is represented by the CIF card [CIF]
data_LiMn3Al2(HO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   7.799
_cell_length_c   10.119
_cell_angle_alpha   109.597
_cell_angle_beta   89.268
_cell_angle_gamma   101.642
_symmetry_Int_Tables_number   1
_cell_volume   433.859
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.921  0.157  0.503  1.0
  Li  Li1  1  0.079  0.843  0.497  1.0
  Mn  Mn2  1  0.921  0.168  0.003  1.0
  Mn  Mn3  1  0.579  0.832  0.997  1.0
  Mn  Mn4  1  0.749  0.499  0.999  1.0
  Mn  Mn5  1  0.421  0.168  0.003  1.0
  Mn  Mn6  1  0.079  0.832  0.997  1.0
  Mn  Mn7  1  0.251  0.501  0.001  1.0
  Al  Al8  1  0.586  0.837  0.497  1.0
  Al  Al9  1  0.756  0.502  0.501  1.0
  Al  Al10  1  0.414  0.163  0.503  1.0
  Al  Al11  1  0.244  0.498  0.499  1.0
  H  H12  1  0.999  0.499  0.712  1.0
  H  H13  1  0.812  0.844  0.289  1.0
  H  H14  1  0.001  0.501  0.288  1.0
  H  H15  1  0.644  0.139  0.710  1.0
  H  H16  1  0.813  0.806  0.703  1.0
  H  H17  1  0.662  0.193  0.301  1.0
  H  H18  1  0.492  0.488  0.710  1.0
  H  H19  1  0.356  0.861  0.290  1.0
  H  H20  1  0.508  0.512  0.290  1.0
  H  H21  1  0.188  0.156  0.711  1.0
  H  H22  1  0.338  0.807  0.699  1.0
  H  H23  1  0.187  0.194  0.297  1.0
  O  O24  1  0.850  0.900  0.897  1.0
  O  O25  1  0.008  0.570  0.893  1.0
  O  O26  1  0.989  0.463  0.607  1.0
  O  O27  1  0.828  0.883  0.392  1.0
  O  O28  1  0.992  0.430  0.107  1.0
  O  O29  1  0.011  0.537  0.393  1.0
  O  O30  1  0.629  0.093  0.607  1.0
  O  O31  1  0.677  0.230  0.897  1.0
  O  O32  1  0.792  0.758  0.600  1.0
  O  O33  1  0.665  0.245  0.405  1.0
  O  O34  1  0.811  0.770  0.099  1.0
  O  O35  1  0.644  0.098  0.104  1.0
  O  O36  1  0.506  0.571  0.891  1.0
  O  O37  1  0.486  0.438  0.605  1.0
  O  O38  1  0.356  0.902  0.896  1.0
  O  O39  1  0.514  0.562  0.395  1.0
  O  O40  1  0.494  0.429  0.109  1.0
  O  O41  1  0.371  0.907  0.393  1.0
  O  O42  1  0.189  0.230  0.901  1.0
  O  O43  1  0.172  0.117  0.608  1.0
  O  O44  1  0.335  0.755  0.595  1.0
  O  O45  1  0.208  0.242  0.400  1.0
  O  O46  1  0.150  0.100  0.103  1.0
  O  O47  1  0.323  0.770  0.103  1.0
[/CIF]
.