The compound described by Li3MnAl2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and edges with two equivalent Al(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), and two equivalent Al(1) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid, and edges with two equivalent O(4)Li3MnAl trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(5)Li3Al2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and one Al(2) atom to form OLi3MnAl trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Mn(1), and one Al(1) atom to form OLi3MnAl trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Al(1), and one Al(2) atom to form OLi3Al2 trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and two equivalent Al(2) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid, and edges with two equivalent O(3)Li3MnAl trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.926
_cell_length_c   7.830
_cell_angle_alpha   90.032
_cell_angle_beta   100.467
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   241.894
_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
  Al  Al0  1  0.163  0.825  0.581  1.0
  Al  Al1  1  0.837  0.175  0.419  1.0
  Al  Al2  1  0.331  0.667  0.913  1.0
  Al  Al3  1  0.669  0.333  0.087  1.0
  Li  Li4  1  0.839  0.834  0.917  1.0
  Li  Li5  1  0.161  0.166  0.083  1.0
  Li  Li6  1  0.003  0.660  0.243  1.0
  Li  Li7  1  0.997  0.340  0.757  1.0
  Li  Li8  1  0.673  0.654  0.597  1.0
  Li  Li9  1  0.327  0.346  0.403  1.0
  Mn  Mn10  1  0.498  0.829  0.258  1.0
  Mn  Mn11  1  0.502  0.171  0.742  1.0
  O  O12  1  0.830  0.863  0.421  1.0
  O  O13  1  0.170  0.137  0.579  1.0
  O  O14  1  0.478  0.828  0.758  1.0
  O  O15  1  0.522  0.172  0.242  1.0
  O  O16  1  0.201  0.819  0.080  1.0
  O  O17  1  0.799  0.181  0.920  1.0
  O  O18  1  0.319  0.684  0.427  1.0
  O  O19  1  0.681  0.316  0.573  1.0
  O  O20  1  0.030  0.678  0.745  1.0
  O  O21  1  0.970  0.322  0.255  1.0
  O  O22  1  0.653  0.644  0.080  1.0
  O  O23  1  0.347  0.356  0.920  1.0
[/CIF]
.
The compound described by Li3MnAl2O6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and edges with two equivalent Al(2)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and edges with two equivalent Al(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids, corners with two equivalent Al(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the second Al site, Al(2) is bonded to one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form AlO5 trigonal bipyramids that share corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Al(2)O5 trigonal bipyramid, and edges with two equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(3), one Mn(1), and two equivalent Al(1) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid, and edges with two equivalent O(4)Li3MnAl trigonal bipyramids. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Mn(1), one Al(1), and one Al(2) atom to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(5)Li3Al2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and one Al(2) atom to form OLi3MnAl trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(6)Li2MnAl2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Mn(1), and one Al(1) atom to form OLi3MnAl trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(1)Li2MnAl2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Al(1), and one Al(2) atom to form OLi3Al2 trigonal bipyramids that share corners with two equivalent O(1)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(6)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(3)Li3MnAl trigonal bipyramid,  an edgeedge with one O(4)Li3MnAl trigonal bipyramid, and edges with two equivalent O(2)Li2MnAl2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and two equivalent Al(2) atoms to form OLi2MnAl2 trigonal bipyramids that share corners with two equivalent O(2)Li2MnAl2 trigonal bipyramids, corners with two equivalent O(5)Li3Al2 trigonal bipyramids, corners with two equivalent O(3)Li3MnAl trigonal bipyramids, corners with two equivalent O(4)Li3MnAl trigonal bipyramids,  an edgeedge with one O(1)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(2)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(6)Li2MnAl2 trigonal bipyramid,  an edgeedge with one O(5)Li3Al2 trigonal bipyramid, and edges with two equivalent O(3)Li3MnAl trigonal bipyramids. is represented by the CIF file [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.926
_cell_length_c   7.830
_cell_angle_alpha   90.032
_cell_angle_beta   100.467
_cell_angle_gamma   89.400
_symmetry_Int_Tables_number   1
_cell_volume   241.894
_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
  Al  Al0  1  0.163  0.825  0.581  1.0
  Al  Al1  1  0.837  0.175  0.419  1.0
  Al  Al2  1  0.331  0.667  0.913  1.0
  Al  Al3  1  0.669  0.333  0.087  1.0
  Li  Li4  1  0.839  0.834  0.917  1.0
  Li  Li5  1  0.161  0.166  0.083  1.0
  Li  Li6  1  0.003  0.660  0.243  1.0
  Li  Li7  1  0.997  0.340  0.757  1.0
  Li  Li8  1  0.673  0.654  0.597  1.0
  Li  Li9  1  0.327  0.346  0.403  1.0
  Mn  Mn10  1  0.498  0.829  0.258  1.0
  Mn  Mn11  1  0.502  0.171  0.742  1.0
  O  O12  1  0.830  0.863  0.421  1.0
  O  O13  1  0.170  0.137  0.579  1.0
  O  O14  1  0.478  0.828  0.758  1.0
  O  O15  1  0.522  0.172  0.242  1.0
  O  O16  1  0.201  0.819  0.080  1.0
  O  O17  1  0.799  0.181  0.920  1.0
  O  O18  1  0.319  0.684  0.427  1.0
  O  O19  1  0.681  0.316  0.573  1.0
  O  O20  1  0.030  0.678  0.745  1.0
  O  O21  1  0.970  0.322  0.255  1.0
  O  O22  1  0.653  0.644  0.080  1.0
  O  O23  1  0.347  0.356  0.920  1.0
[/CIF]
.