The crystal structure described by Li5FeO4 crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) 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(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a linear geometry to one O(2) and one O(3) atom. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.935
_cell_length_b   7.069
_cell_length_c   8.116
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.855
_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  0.725  0.500  0.000  1.0
  Li  Li1  1  0.275  0.500  0.000  1.0
  Li  Li2  1  0.500  0.760  0.077  1.0
  Li  Li3  1  0.746  0.986  0.153  1.0
  Li  Li4  1  0.254  0.986  0.153  1.0
  Li  Li5  1  0.000  0.746  0.253  1.0
  Li  Li6  1  0.500  0.246  0.247  1.0
  Li  Li7  1  0.754  0.486  0.347  1.0
  Li  Li8  1  0.246  0.486  0.347  1.0
  Li  Li9  1  0.000  0.260  0.423  1.0
  Li  Li10  1  0.225  0.000  0.500  1.0
  Li  Li11  1  0.775  0.000  0.500  1.0
  Li  Li12  1  0.000  0.740  0.577  1.0
  Li  Li13  1  0.754  0.514  0.653  1.0
  Li  Li14  1  0.246  0.514  0.653  1.0
  Li  Li15  1  0.500  0.754  0.753  1.0
  Li  Li16  1  0.000  0.254  0.747  1.0
  Li  Li17  1  0.746  0.014  0.847  1.0
  Li  Li18  1  0.254  0.014  0.847  1.0
  Li  Li19  1  0.500  0.240  0.923  1.0
  Fe  Fe20  1  0.000  0.242  0.117  1.0
  Fe  Fe21  1  0.500  0.742  0.383  1.0
  Fe  Fe22  1  0.500  0.258  0.617  1.0
  Fe  Fe23  1  0.000  0.758  0.883  1.0
  O  O24  1  0.758  0.221  0.011  1.0
  O  O25  1  0.242  0.221  0.011  1.0
  O  O26  1  0.500  0.530  0.226  1.0
  O  O27  1  0.000  0.470  0.239  1.0
  O  O28  1  0.500  0.970  0.261  1.0
  O  O29  1  0.000  0.030  0.274  1.0
  O  O30  1  0.258  0.721  0.489  1.0
  O  O31  1  0.742  0.721  0.489  1.0
  O  O32  1  0.742  0.279  0.511  1.0
  O  O33  1  0.258  0.279  0.511  1.0
  O  O34  1  0.000  0.970  0.726  1.0
  O  O35  1  0.500  0.030  0.739  1.0
  O  O36  1  0.000  0.530  0.761  1.0
  O  O37  1  0.500  0.470  0.774  1.0
  O  O38  1  0.758  0.779  0.989  1.0
  O  O39  1  0.242  0.779  0.989  1.0
[/CIF]
.
The crystal structure described by Li5FeO4 crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Fe(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) 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(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Fe(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a linear geometry to one O(2) and one O(3) atom. Fe(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(3)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Li(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(3), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.935
_cell_length_b   7.069
_cell_length_c   8.116
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.855
_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  0.725  0.500  0.000  1.0
  Li  Li1  1  0.275  0.500  0.000  1.0
  Li  Li2  1  0.500  0.760  0.077  1.0
  Li  Li3  1  0.746  0.986  0.153  1.0
  Li  Li4  1  0.254  0.986  0.153  1.0
  Li  Li5  1  0.000  0.746  0.253  1.0
  Li  Li6  1  0.500  0.246  0.247  1.0
  Li  Li7  1  0.754  0.486  0.347  1.0
  Li  Li8  1  0.246  0.486  0.347  1.0
  Li  Li9  1  0.000  0.260  0.423  1.0
  Li  Li10  1  0.225  0.000  0.500  1.0
  Li  Li11  1  0.775  0.000  0.500  1.0
  Li  Li12  1  0.000  0.740  0.577  1.0
  Li  Li13  1  0.754  0.514  0.653  1.0
  Li  Li14  1  0.246  0.514  0.653  1.0
  Li  Li15  1  0.500  0.754  0.753  1.0
  Li  Li16  1  0.000  0.254  0.747  1.0
  Li  Li17  1  0.746  0.014  0.847  1.0
  Li  Li18  1  0.254  0.014  0.847  1.0
  Li  Li19  1  0.500  0.240  0.923  1.0
  Fe  Fe20  1  0.000  0.242  0.117  1.0
  Fe  Fe21  1  0.500  0.742  0.383  1.0
  Fe  Fe22  1  0.500  0.258  0.617  1.0
  Fe  Fe23  1  0.000  0.758  0.883  1.0
  O  O24  1  0.758  0.221  0.011  1.0
  O  O25  1  0.242  0.221  0.011  1.0
  O  O26  1  0.500  0.530  0.226  1.0
  O  O27  1  0.000  0.470  0.239  1.0
  O  O28  1  0.500  0.970  0.261  1.0
  O  O29  1  0.000  0.030  0.274  1.0
  O  O30  1  0.258  0.721  0.489  1.0
  O  O31  1  0.742  0.721  0.489  1.0
  O  O32  1  0.742  0.279  0.511  1.0
  O  O33  1  0.258  0.279  0.511  1.0
  O  O34  1  0.000  0.970  0.726  1.0
  O  O35  1  0.500  0.030  0.739  1.0
  O  O36  1  0.000  0.530  0.761  1.0
  O  O37  1  0.500  0.470  0.774  1.0
  O  O38  1  0.758  0.779  0.989  1.0
  O  O39  1  0.242  0.779  0.989  1.0
[/CIF]
.