The structure described by Li3MnAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Al(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form AlO4 tetrahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one Al(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Al(1) atom. In the third O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Al(1) atom to form corner-sharing OLi2MnAl tetrahedra. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one Al(1), and one Al(2) atom. In the fifth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), and one Al(2) atom to form distorted corner-sharing OLi2MnAl tetrahedra. In the sixth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Mn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   9.788
_cell_length_c   11.303
_cell_angle_alpha   54.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.138
_cell_formula_units_Z   4
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  0.244  0.426  0.964  1.0
  Li  Li1  1  0.002  0.245  0.236  1.0
  Li  Li2  1  0.744  0.574  0.536  1.0
  Li  Li3  1  0.753  0.079  0.134  1.0
  Li  Li4  1  0.498  0.245  0.736  1.0
  Li  Li5  1  0.253  0.921  0.366  1.0
  Li  Li6  1  0.747  0.079  0.634  1.0
  Li  Li7  1  0.502  0.755  0.264  1.0
  Li  Li8  1  0.247  0.921  0.866  1.0
  Li  Li9  1  0.256  0.426  0.464  1.0
  Li  Li10  1  0.998  0.755  0.764  1.0
  Li  Li11  1  0.756  0.574  0.036  1.0
  Mn  Mn12  1  0.503  0.248  0.243  1.0
  Mn  Mn13  1  0.997  0.248  0.743  1.0
  Mn  Mn14  1  0.003  0.752  0.257  1.0
  Mn  Mn15  1  0.497  0.752  0.757  1.0
  Al  Al16  1  0.236  0.624  0.605  1.0
  Al  Al17  1  0.736  0.376  0.895  1.0
  Al  Al18  1  0.742  0.873  0.478  1.0
  Al  Al19  1  0.242  0.127  0.022  1.0
  Al  Al20  1  0.758  0.873  0.978  1.0
  Al  Al21  1  0.258  0.127  0.522  1.0
  Al  Al22  1  0.264  0.624  0.105  1.0
  Al  Al23  1  0.764  0.376  0.395  1.0
  O  O24  1  0.722  0.573  0.867  1.0
  O  O25  1  0.243  0.611  0.768  1.0
  O  O26  1  0.493  0.742  0.499  1.0
  O  O27  1  0.993  0.258  0.001  1.0
  O  O28  1  0.743  0.389  0.732  1.0
  O  O29  1  0.747  0.893  0.624  1.0
  O  O30  1  0.494  0.247  0.013  1.0
  O  O31  1  0.222  0.427  0.633  1.0
  O  O32  1  0.724  0.067  0.308  1.0
  O  O33  1  0.224  0.933  0.192  1.0
  O  O34  1  0.994  0.753  0.487  1.0
  O  O35  1  0.247  0.107  0.876  1.0
  O  O36  1  0.753  0.893  0.124  1.0
  O  O37  1  0.006  0.247  0.513  1.0
  O  O38  1  0.776  0.067  0.808  1.0
  O  O39  1  0.276  0.933  0.692  1.0
  O  O40  1  0.778  0.573  0.367  1.0
  O  O41  1  0.506  0.753  0.987  1.0
  O  O42  1  0.253  0.107  0.376  1.0
  O  O43  1  0.257  0.611  0.268  1.0
  O  O44  1  0.007  0.742  0.999  1.0
  O  O45  1  0.507  0.258  0.501  1.0
  O  O46  1  0.757  0.389  0.232  1.0
  O  O47  1  0.278  0.427  0.133  1.0
[/CIF]
.
The structure described by Li3MnAl2O6 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Al(2)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Al(2)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form AlO4 tetrahedra that share corners with two equivalent Al(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Mn(1), and one Al(2) atom. In the second O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Al(1) atom. In the third O site, O(2) is bonded to one Li(1), one Li(2), one Mn(1), and one Al(1) atom to form corner-sharing OLi2MnAl tetrahedra. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Li(3), one Al(1), and one Al(2) atom. In the fifth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), and one Al(2) atom to form distorted corner-sharing OLi2MnAl tetrahedra. In the sixth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Mn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_Li3MnAl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   9.788
_cell_length_c   11.303
_cell_angle_alpha   54.937
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   507.138
_cell_formula_units_Z   4
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  0.244  0.426  0.964  1.0
  Li  Li1  1  0.002  0.245  0.236  1.0
  Li  Li2  1  0.744  0.574  0.536  1.0
  Li  Li3  1  0.753  0.079  0.134  1.0
  Li  Li4  1  0.498  0.245  0.736  1.0
  Li  Li5  1  0.253  0.921  0.366  1.0
  Li  Li6  1  0.747  0.079  0.634  1.0
  Li  Li7  1  0.502  0.755  0.264  1.0
  Li  Li8  1  0.247  0.921  0.866  1.0
  Li  Li9  1  0.256  0.426  0.464  1.0
  Li  Li10  1  0.998  0.755  0.764  1.0
  Li  Li11  1  0.756  0.574  0.036  1.0
  Mn  Mn12  1  0.503  0.248  0.243  1.0
  Mn  Mn13  1  0.997  0.248  0.743  1.0
  Mn  Mn14  1  0.003  0.752  0.257  1.0
  Mn  Mn15  1  0.497  0.752  0.757  1.0
  Al  Al16  1  0.236  0.624  0.605  1.0
  Al  Al17  1  0.736  0.376  0.895  1.0
  Al  Al18  1  0.742  0.873  0.478  1.0
  Al  Al19  1  0.242  0.127  0.022  1.0
  Al  Al20  1  0.758  0.873  0.978  1.0
  Al  Al21  1  0.258  0.127  0.522  1.0
  Al  Al22  1  0.264  0.624  0.105  1.0
  Al  Al23  1  0.764  0.376  0.395  1.0
  O  O24  1  0.722  0.573  0.867  1.0
  O  O25  1  0.243  0.611  0.768  1.0
  O  O26  1  0.493  0.742  0.499  1.0
  O  O27  1  0.993  0.258  0.001  1.0
  O  O28  1  0.743  0.389  0.732  1.0
  O  O29  1  0.747  0.893  0.624  1.0
  O  O30  1  0.494  0.247  0.013  1.0
  O  O31  1  0.222  0.427  0.633  1.0
  O  O32  1  0.724  0.067  0.308  1.0
  O  O33  1  0.224  0.933  0.192  1.0
  O  O34  1  0.994  0.753  0.487  1.0
  O  O35  1  0.247  0.107  0.876  1.0
  O  O36  1  0.753  0.893  0.124  1.0
  O  O37  1  0.006  0.247  0.513  1.0
  O  O38  1  0.776  0.067  0.808  1.0
  O  O39  1  0.276  0.933  0.692  1.0
  O  O40  1  0.778  0.573  0.367  1.0
  O  O41  1  0.506  0.753  0.987  1.0
  O  O42  1  0.253  0.107  0.376  1.0
  O  O43  1  0.257  0.611  0.268  1.0
  O  O44  1  0.007  0.742  0.999  1.0
  O  O45  1  0.507  0.258  0.501  1.0
  O  O46  1  0.757  0.389  0.232  1.0
  O  O47  1  0.278  0.427  0.133  1.0
[/CIF]
.