The structure described by Li3FeAlO5 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Fe(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. Al(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form AlO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Al(1) atoms to form OLi2Al2 tetrahedra that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li2Al2 tetrahedra, corners with two equivalent O(2)Li3Fe tetrahedra, corners with three equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(4)Li2AlFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(1)Li2Al2 tetrahedra, corners with three equivalent O(4)Li2AlFe tetrahedra, corners with three equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(3)Li3Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and one Fe(1) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(1)Li2Al2 tetrahedra,  a cornercorner with one O(4)Li2AlFe tetrahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with four equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(2)Li3Fe tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Fe(1), and one Al(1) atom to form OLi2AlFe tetrahedra that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(4)Li2AlFe tetrahedra, corners with two equivalent O(5)Li2AlFe tetrahedra, corners with three equivalent O(2)Li3Fe tetrahedra, and corners with four equivalent O(1)Li2Al2 tetrahedra. In the fifth O site, O(5) 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)Li2AlFe tetrahedra, corners with three equivalent O(1)Li2Al2 tetrahedra, corners with three equivalent O(2)Li3Fe tetrahedra, and corners with four equivalent O(3)Li3Fe tetrahedra. is represented by the CIF file [CIF]
data_Li3AlFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   5.338
_cell_length_c   16.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.024
_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  0.006  0.663  0.601  1.0
  Li  Li1  1  0.006  0.163  0.899  1.0
  Li  Li2  1  0.503  0.329  0.002  1.0
  Li  Li3  1  0.503  0.829  0.498  1.0
  Li  Li4  1  0.496  0.328  0.799  1.0
  Li  Li5  1  0.496  0.828  0.701  1.0
  Li  Li6  1  0.506  0.337  0.399  1.0
  Li  Li7  1  0.506  0.837  0.101  1.0
  Li  Li8  1  0.003  0.671  0.998  1.0
  Li  Li9  1  0.003  0.171  0.502  1.0
  Li  Li10  1  0.996  0.172  0.299  1.0
  Li  Li11  1  0.996  0.672  0.201  1.0
  Al  Al12  1  0.995  0.165  0.702  1.0
  Al  Al13  1  0.995  0.665  0.798  1.0
  Al  Al14  1  0.495  0.335  0.202  1.0
  Al  Al15  1  0.495  0.835  0.298  1.0
  Fe  Fe16  1  0.002  0.169  0.099  1.0
  Fe  Fe17  1  0.002  0.669  0.401  1.0
  Fe  Fe18  1  0.502  0.331  0.599  1.0
  Fe  Fe19  1  0.502  0.831  0.901  1.0
  O  O20  1  0.096  0.347  0.789  1.0
  O  O21  1  0.096  0.847  0.711  1.0
  O  O22  1  0.114  0.355  0.402  1.0
  O  O23  1  0.114  0.855  0.098  1.0
  O  O24  1  0.110  0.306  0.006  1.0
  O  O25  1  0.110  0.806  0.494  1.0
  O  O26  1  0.142  0.324  0.196  1.0
  O  O27  1  0.142  0.824  0.304  1.0
  O  O28  1  0.130  0.300  0.611  1.0
  O  O29  1  0.130  0.800  0.889  1.0
  O  O30  1  0.596  0.653  0.211  1.0
  O  O31  1  0.596  0.153  0.289  1.0
  O  O32  1  0.614  0.645  0.598  1.0
  O  O33  1  0.614  0.145  0.902  1.0
  O  O34  1  0.610  0.194  0.506  1.0
  O  O35  1  0.610  0.694  0.994  1.0
  O  O36  1  0.642  0.176  0.696  1.0
  O  O37  1  0.642  0.676  0.804  1.0
  O  O38  1  0.630  0.200  0.111  1.0
  O  O39  1  0.630  0.700  0.389  1.0
[/CIF]
.
The structure described by Li3FeAlO5 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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 LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Fe(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and corners with four equivalent Al(1)O4 tetrahedra. Fe(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. Al(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form AlO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Al(1) atoms to form OLi2Al2 tetrahedra that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(1)Li2Al2 tetrahedra, corners with two equivalent O(2)Li3Fe tetrahedra, corners with three equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(4)Li2AlFe tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one Fe(1) atom to form OLi3Fe tetrahedra that share corners with two equivalent O(1)Li2Al2 tetrahedra, corners with three equivalent O(4)Li2AlFe tetrahedra, corners with three equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(3)Li3Fe tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and one Fe(1) atom to form OLi3Fe tetrahedra that share  a cornercorner with one O(1)Li2Al2 tetrahedra,  a cornercorner with one O(4)Li2AlFe tetrahedra, corners with two equivalent O(3)Li3Fe tetrahedra, corners with four equivalent O(5)Li2AlFe tetrahedra, and corners with four equivalent O(2)Li3Fe tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Fe(1), and one Al(1) atom to form OLi2AlFe tetrahedra that share  a cornercorner with one O(3)Li3Fe tetrahedra, corners with two equivalent O(4)Li2AlFe tetrahedra, corners with two equivalent O(5)Li2AlFe tetrahedra, corners with three equivalent O(2)Li3Fe tetrahedra, and corners with four equivalent O(1)Li2Al2 tetrahedra. In the fifth O site, O(5) 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)Li2AlFe tetrahedra, corners with three equivalent O(1)Li2Al2 tetrahedra, corners with three equivalent O(2)Li3Fe tetrahedra, and corners with four equivalent O(3)Li3Fe tetrahedra. is represented by the CIF file [CIF]
data_Li3AlFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   5.338
_cell_length_c   16.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.024
_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  0.006  0.663  0.601  1.0
  Li  Li1  1  0.006  0.163  0.899  1.0
  Li  Li2  1  0.503  0.329  0.002  1.0
  Li  Li3  1  0.503  0.829  0.498  1.0
  Li  Li4  1  0.496  0.328  0.799  1.0
  Li  Li5  1  0.496  0.828  0.701  1.0
  Li  Li6  1  0.506  0.337  0.399  1.0
  Li  Li7  1  0.506  0.837  0.101  1.0
  Li  Li8  1  0.003  0.671  0.998  1.0
  Li  Li9  1  0.003  0.171  0.502  1.0
  Li  Li10  1  0.996  0.172  0.299  1.0
  Li  Li11  1  0.996  0.672  0.201  1.0
  Al  Al12  1  0.995  0.165  0.702  1.0
  Al  Al13  1  0.995  0.665  0.798  1.0
  Al  Al14  1  0.495  0.335  0.202  1.0
  Al  Al15  1  0.495  0.835  0.298  1.0
  Fe  Fe16  1  0.002  0.169  0.099  1.0
  Fe  Fe17  1  0.002  0.669  0.401  1.0
  Fe  Fe18  1  0.502  0.331  0.599  1.0
  Fe  Fe19  1  0.502  0.831  0.901  1.0
  O  O20  1  0.096  0.347  0.789  1.0
  O  O21  1  0.096  0.847  0.711  1.0
  O  O22  1  0.114  0.355  0.402  1.0
  O  O23  1  0.114  0.855  0.098  1.0
  O  O24  1  0.110  0.306  0.006  1.0
  O  O25  1  0.110  0.806  0.494  1.0
  O  O26  1  0.142  0.324  0.196  1.0
  O  O27  1  0.142  0.824  0.304  1.0
  O  O28  1  0.130  0.300  0.611  1.0
  O  O29  1  0.130  0.800  0.889  1.0
  O  O30  1  0.596  0.653  0.211  1.0
  O  O31  1  0.596  0.153  0.289  1.0
  O  O32  1  0.614  0.645  0.598  1.0
  O  O33  1  0.614  0.145  0.902  1.0
  O  O34  1  0.610  0.194  0.506  1.0
  O  O35  1  0.610  0.694  0.994  1.0
  O  O36  1  0.642  0.176  0.696  1.0
  O  O37  1  0.642  0.676  0.804  1.0
  O  O38  1  0.630  0.200  0.111  1.0
  O  O39  1  0.630  0.700  0.389  1.0
[/CIF]
.