The compound described by Li2FeAlO4 is Stannite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. Al(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(3)Li2AlFe tetrahedra, corners with two equivalent O(1)Li3Fe tetrahedra, corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(2)Li2AlFe tetrahedra, and  an edgeedge with one O(3)Li2AlFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form OLi2AlFe tetrahedra that share corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(3)Li2AlFe tetrahedra, corners with four equivalent O(1)Li3Fe tetrahedra, and  an edgeedge with one O(4)LiAl2Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form distorted OLi2AlFe tetrahedra that share corners with two equivalent O(1)Li3Fe tetrahedra, corners with four equivalent O(2)Li2AlFe tetrahedra, corners with four equivalent O(4)LiAl2Fe tetrahedra, and  an edgeedge with one O(1)Li3Fe tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), and two equivalent Al(1) atoms to form OLiAl2Fe tetrahedra that share corners with two equivalent O(2)Li2AlFe tetrahedra, corners with two equivalent O(1)Li3Fe tetrahedra, corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(3)Li2AlFe tetrahedra, and  an edgeedge with one O(2)Li2AlFe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   6.296
_cell_length_c   10.916
_cell_angle_alpha   88.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.450
_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  0.327  0.011  0.826  1.0
  Li  Li1  1  0.173  0.011  0.326  1.0
  Li  Li2  1  0.170  0.246  0.580  1.0
  Li  Li3  1  0.330  0.246  0.080  1.0
  Li  Li4  1  0.670  0.754  0.920  1.0
  Li  Li5  1  0.830  0.754  0.420  1.0
  Li  Li6  1  0.827  0.989  0.674  1.0
  Li  Li7  1  0.673  0.989  0.174  1.0
  Al  Al8  1  0.184  0.503  0.832  1.0
  Al  Al9  1  0.684  0.497  0.668  1.0
  Al  Al10  1  0.316  0.503  0.332  1.0
  Al  Al11  1  0.816  0.497  0.168  1.0
  Fe  Fe12  1  0.824  0.235  0.920  1.0
  Fe  Fe13  1  0.676  0.235  0.420  1.0
  Fe  Fe14  1  0.324  0.765  0.580  1.0
  Fe  Fe15  1  0.176  0.765  0.080  1.0
  O  O16  1  0.686  0.026  0.835  1.0
  O  O17  1  0.814  0.026  0.335  1.0
  O  O18  1  0.181  0.256  0.916  1.0
  O  O19  1  0.319  0.256  0.416  1.0
  O  O20  1  0.802  0.290  0.580  1.0
  O  O21  1  0.347  0.488  0.689  1.0
  O  O22  1  0.698  0.290  0.080  1.0
  O  O23  1  0.153  0.488  0.189  1.0
  O  O24  1  0.847  0.512  0.811  1.0
  O  O25  1  0.302  0.710  0.920  1.0
  O  O26  1  0.653  0.512  0.311  1.0
  O  O27  1  0.198  0.710  0.420  1.0
  O  O28  1  0.681  0.744  0.584  1.0
  O  O29  1  0.819  0.744  0.084  1.0
  O  O30  1  0.186  0.974  0.665  1.0
  O  O31  1  0.314  0.974  0.165  1.0
[/CIF]
.
The compound described by Li2FeAlO4 is Stannite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, corners with four equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. Al(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(3)Li2AlFe tetrahedra, corners with two equivalent O(1)Li3Fe tetrahedra, corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(2)Li2AlFe tetrahedra, and  an edgeedge with one O(3)Li2AlFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form OLi2AlFe tetrahedra that share corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(3)Li2AlFe tetrahedra, corners with four equivalent O(1)Li3Fe tetrahedra, and  an edgeedge with one O(4)LiAl2Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Al(1) atom to form distorted OLi2AlFe tetrahedra that share corners with two equivalent O(1)Li3Fe tetrahedra, corners with four equivalent O(2)Li2AlFe tetrahedra, corners with four equivalent O(4)LiAl2Fe tetrahedra, and  an edgeedge with one O(1)Li3Fe tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Fe(1), and two equivalent Al(1) atoms to form OLiAl2Fe tetrahedra that share corners with two equivalent O(2)Li2AlFe tetrahedra, corners with two equivalent O(1)Li3Fe tetrahedra, corners with two equivalent O(4)LiAl2Fe tetrahedra, corners with four equivalent O(3)Li2AlFe tetrahedra, and  an edgeedge with one O(2)Li2AlFe tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2AlFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   6.296
_cell_length_c   10.916
_cell_angle_alpha   88.707
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.450
_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  0.327  0.011  0.826  1.0
  Li  Li1  1  0.173  0.011  0.326  1.0
  Li  Li2  1  0.170  0.246  0.580  1.0
  Li  Li3  1  0.330  0.246  0.080  1.0
  Li  Li4  1  0.670  0.754  0.920  1.0
  Li  Li5  1  0.830  0.754  0.420  1.0
  Li  Li6  1  0.827  0.989  0.674  1.0
  Li  Li7  1  0.673  0.989  0.174  1.0
  Al  Al8  1  0.184  0.503  0.832  1.0
  Al  Al9  1  0.684  0.497  0.668  1.0
  Al  Al10  1  0.316  0.503  0.332  1.0
  Al  Al11  1  0.816  0.497  0.168  1.0
  Fe  Fe12  1  0.824  0.235  0.920  1.0
  Fe  Fe13  1  0.676  0.235  0.420  1.0
  Fe  Fe14  1  0.324  0.765  0.580  1.0
  Fe  Fe15  1  0.176  0.765  0.080  1.0
  O  O16  1  0.686  0.026  0.835  1.0
  O  O17  1  0.814  0.026  0.335  1.0
  O  O18  1  0.181  0.256  0.916  1.0
  O  O19  1  0.319  0.256  0.416  1.0
  O  O20  1  0.802  0.290  0.580  1.0
  O  O21  1  0.347  0.488  0.689  1.0
  O  O22  1  0.698  0.290  0.080  1.0
  O  O23  1  0.153  0.488  0.189  1.0
  O  O24  1  0.847  0.512  0.811  1.0
  O  O25  1  0.302  0.710  0.920  1.0
  O  O26  1  0.653  0.512  0.311  1.0
  O  O27  1  0.198  0.710  0.420  1.0
  O  O28  1  0.681  0.744  0.584  1.0
  O  O29  1  0.819  0.744  0.084  1.0
  O  O30  1  0.186  0.974  0.665  1.0
  O  O31  1  0.314  0.974  0.165  1.0
[/CIF]
.