The material described by Li(Fe2O3)4 crystallizes in the monoclinic P2 space group. Li(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-77°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-68°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-77°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form OFe4 tetrahedra that share corners with two equivalent O(3)Fe4 tetrahedra, corners with three equivalent O(2)LiFe3 tetrahedra,  a cornercorner with one O(5)Fe4 trigonal pyramid,  an edgeedge with one O(1)Fe4 tetrahedra,  an edgeedge with one O(3)Fe4 tetrahedra, and  an edgeedge with one O(5)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(3)Fe4 tetrahedra, corners with three equivalent O(1)Fe4 tetrahedra, and  a cornercorner with one O(5)Fe4 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(3) atoms to form distorted OFe4 tetrahedra that share corners with two equivalent O(1)Fe4 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra, corners with three equivalent O(5)Fe4 trigonal pyramids,  an edgeedge with one O(1)Fe4 tetrahedra, and  an edgeedge with one O(3)Fe4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(1) and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(1)Fe4 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra, corners with six equivalent O(3)Fe4 tetrahedra, and edges with two equivalent O(1)Fe4 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li(Fe2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.318
_cell_length_c   9.063
_cell_angle_alpha   73.023
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.525
_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  0.306  0.250  0.500  1.0
  Fe  Fe1  1  0.254  0.493  0.090  1.0
  Fe  Fe2  1  0.195  0.913  0.304  1.0
  Fe  Fe3  1  0.195  0.587  0.696  1.0
  Fe  Fe4  1  0.254  0.007  0.910  1.0
  Fe  Fe5  1  0.742  0.498  0.917  1.0
  Fe  Fe6  1  0.791  0.076  0.691  1.0
  Fe  Fe7  1  0.791  0.424  0.309  1.0
  Fe  Fe8  1  0.742  0.002  0.083  1.0
  O  O9  1  0.389  0.672  0.863  1.0
  O  O10  1  0.130  0.215  0.698  1.0
  O  O11  1  0.130  0.285  0.302  1.0
  O  O12  1  0.389  0.828  0.137  1.0
  O  O13  1  0.602  0.332  0.143  1.0
  O  O14  1  0.868  0.784  0.292  1.0
  O  O15  1  0.868  0.716  0.708  1.0
  O  O16  1  0.602  0.168  0.857  1.0
  O  O17  1  0.957  0.750  0.000  1.0
  O  O18  1  0.655  0.250  0.500  1.0
  O  O19  1  0.063  0.250  0.000  1.0
  O  O20  1  0.314  0.750  0.500  1.0
[/CIF]
.
The material described by Li(Fe2O3)4 crystallizes in the monoclinic P2 space group. Li(1) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(1) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-62°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), and one O(8) atom to form FeO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra, and corners with two equivalent Fe(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-77°. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  a faceface with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-68°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O4 tetrahedra, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-77°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form OFe4 tetrahedra that share corners with two equivalent O(3)Fe4 tetrahedra, corners with three equivalent O(2)LiFe3 tetrahedra,  a cornercorner with one O(5)Fe4 trigonal pyramid,  an edgeedge with one O(1)Fe4 tetrahedra,  an edgeedge with one O(3)Fe4 tetrahedra, and  an edgeedge with one O(5)Fe4 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OLiFe3 tetrahedra that share  a cornercorner with one O(2)LiFe3 tetrahedra, corners with two equivalent O(3)Fe4 tetrahedra, corners with three equivalent O(1)Fe4 tetrahedra, and  a cornercorner with one O(5)Fe4 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), one Fe(4), and two equivalent Fe(3) atoms to form distorted OFe4 tetrahedra that share corners with two equivalent O(1)Fe4 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra, corners with three equivalent O(5)Fe4 trigonal pyramids,  an edgeedge with one O(1)Fe4 tetrahedra, and  an edgeedge with one O(3)Fe4 tetrahedra. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded to two equivalent Fe(1) and two equivalent Fe(3) atoms to form distorted OFe4 trigonal pyramids that share corners with two equivalent O(1)Fe4 tetrahedra, corners with two equivalent O(2)LiFe3 tetrahedra, corners with six equivalent O(3)Fe4 tetrahedra, and edges with two equivalent O(1)Fe4 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Fe(4) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Fe(3) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Li(Fe2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.318
_cell_length_c   9.063
_cell_angle_alpha   73.023
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   247.525
_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  0.306  0.250  0.500  1.0
  Fe  Fe1  1  0.254  0.493  0.090  1.0
  Fe  Fe2  1  0.195  0.913  0.304  1.0
  Fe  Fe3  1  0.195  0.587  0.696  1.0
  Fe  Fe4  1  0.254  0.007  0.910  1.0
  Fe  Fe5  1  0.742  0.498  0.917  1.0
  Fe  Fe6  1  0.791  0.076  0.691  1.0
  Fe  Fe7  1  0.791  0.424  0.309  1.0
  Fe  Fe8  1  0.742  0.002  0.083  1.0
  O  O9  1  0.389  0.672  0.863  1.0
  O  O10  1  0.130  0.215  0.698  1.0
  O  O11  1  0.130  0.285  0.302  1.0
  O  O12  1  0.389  0.828  0.137  1.0
  O  O13  1  0.602  0.332  0.143  1.0
  O  O14  1  0.868  0.784  0.292  1.0
  O  O15  1  0.868  0.716  0.708  1.0
  O  O16  1  0.602  0.168  0.857  1.0
  O  O17  1  0.957  0.750  0.000  1.0
  O  O18  1  0.655  0.250  0.500  1.0
  O  O19  1  0.063  0.250  0.000  1.0
  O  O20  1  0.314  0.750  0.500  1.0
[/CIF]
.