The material described by Li3(FeO2)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom 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, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Fe(1), and one Fe(4) atom to form corner-sharing OLi2Fe2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form corner-sharing OLi2Fe2 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), and one Fe(4) atom to form corner-sharing OLi2Fe2 tetrahedra. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Li3(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.611
_cell_length_c   6.606
_cell_angle_alpha   90.130
_cell_angle_beta   90.032
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   192.413
_cell_formula_units_Z   1
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  0.496  0.419  0.123  1.0
  Li  Li1  1  0.000  0.582  0.877  1.0
  Li  Li2  1  0.496  0.917  0.377  1.0
  Fe  Fe3  1  0.999  0.082  0.125  1.0
  Fe  Fe4  1  0.498  0.418  0.626  1.0
  Fe  Fe5  1  0.998  0.583  0.375  1.0
  Fe  Fe6  1  0.499  0.915  0.872  1.0
  O  O7  1  0.367  0.073  0.109  1.0
  O  O8  1  0.429  0.088  0.635  1.0
  O  O9  1  0.893  0.405  0.140  1.0
  O  O10  1  0.859  0.473  0.617  1.0
  O  O11  1  0.366  0.568  0.385  1.0
  O  O12  1  0.389  0.588  0.864  1.0
  O  O13  1  0.879  0.897  0.337  1.0
  O  O14  1  0.863  0.911  0.910  1.0
[/CIF]
.
The material described by Li3(FeO2)4 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom 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, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Fe(1), and one Fe(4) atom to form corner-sharing OLi2Fe2 tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(3), one Fe(2), and one Fe(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Fe(1), and one Fe(3) atom to form corner-sharing OLi2Fe2 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Fe(2), and one Fe(3) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(2), and one Fe(4) atom to form corner-sharing OLi2Fe2 tetrahedra. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(1), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Li3(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.191
_cell_length_b   5.611
_cell_length_c   6.606
_cell_angle_alpha   90.130
_cell_angle_beta   90.032
_cell_angle_gamma   90.026
_symmetry_Int_Tables_number   1
_cell_volume   192.413
_cell_formula_units_Z   1
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  0.496  0.419  0.123  1.0
  Li  Li1  1  0.000  0.582  0.877  1.0
  Li  Li2  1  0.496  0.917  0.377  1.0
  Fe  Fe3  1  0.999  0.082  0.125  1.0
  Fe  Fe4  1  0.498  0.418  0.626  1.0
  Fe  Fe5  1  0.998  0.583  0.375  1.0
  Fe  Fe6  1  0.499  0.915  0.872  1.0
  O  O7  1  0.367  0.073  0.109  1.0
  O  O8  1  0.429  0.088  0.635  1.0
  O  O9  1  0.893  0.405  0.140  1.0
  O  O10  1  0.859  0.473  0.617  1.0
  O  O11  1  0.366  0.568  0.385  1.0
  O  O12  1  0.389  0.588  0.864  1.0
  O  O13  1  0.879  0.897  0.337  1.0
  O  O14  1  0.863  0.911  0.910  1.0
[/CIF]
.