The material described by LiZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent O(1), and two equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Zn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(3), and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share  a cornercorner with one O(2)ZnFe3 tetrahedra, corners with four equivalent O(4)Zn2Fe2 trigonal pyramids, and  an edgeedge with one O(2)ZnFe3 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form distorted OZn2Fe2 trigonal pyramids that share corners with four equivalent O(2)ZnFe3 tetrahedra,  a cornercorner with one O(4)Zn2Fe2 trigonal pyramid, and  an edgeedge with one O(4)Zn2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   6.140
_cell_angle_alpha   60.355
_cell_angle_beta   60.354
_cell_angle_gamma   59.128
_symmetry_Int_Tables_number   1
_cell_volume   167.014
_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  0.467  0.467  0.033  1.0
  Zn  Zn1  1  0.139  0.612  0.624  1.0
  Zn  Zn2  1  0.612  0.139  0.624  1.0
  Fe  Fe3  1  1.000  1.000  0.000  1.0
  Fe  Fe4  1  0.220  0.220  0.280  1.0
  Fe  Fe5  1  0.646  0.646  0.120  1.0
  Fe  Fe6  1  0.646  0.646  0.588  1.0
  O  O7  1  0.384  0.384  0.378  1.0
  O  O8  1  0.384  0.384  0.855  1.0
  O  O9  1  0.404  0.836  0.380  1.0
  O  O10  1  0.836  0.404  0.380  1.0
  O  O11  1  0.396  0.846  0.879  1.0
  O  O12  1  0.846  0.396  0.879  1.0
  O  O13  1  0.871  0.871  0.385  1.0
  O  O14  1  0.871  0.871  0.872  1.0
[/CIF]
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The material described by LiZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(3), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent O(1), and two equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Zn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded to one Fe(2), two equivalent Fe(3), and one Zn(1) atom to form distorted OZnFe3 tetrahedra that share  a cornercorner with one O(2)ZnFe3 tetrahedra, corners with four equivalent O(4)Zn2Fe2 trigonal pyramids, and  an edgeedge with one O(2)ZnFe3 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Fe(1), two equivalent Fe(3), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form distorted OZn2Fe2 trigonal pyramids that share corners with four equivalent O(2)ZnFe3 tetrahedra,  a cornercorner with one O(4)Zn2Fe2 trigonal pyramid, and  an edgeedge with one O(4)Zn2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.207
_cell_length_b   6.207
_cell_length_c   6.140
_cell_angle_alpha   60.355
_cell_angle_beta   60.354
_cell_angle_gamma   59.128
_symmetry_Int_Tables_number   1
_cell_volume   167.014
_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  0.467  0.467  0.033  1.0
  Zn  Zn1  1  0.139  0.612  0.624  1.0
  Zn  Zn2  1  0.612  0.139  0.624  1.0
  Fe  Fe3  1  1.000  1.000  0.000  1.0
  Fe  Fe4  1  0.220  0.220  0.280  1.0
  Fe  Fe5  1  0.646  0.646  0.120  1.0
  Fe  Fe6  1  0.646  0.646  0.588  1.0
  O  O7  1  0.384  0.384  0.378  1.0
  O  O8  1  0.384  0.384  0.855  1.0
  O  O9  1  0.404  0.836  0.380  1.0
  O  O10  1  0.836  0.404  0.380  1.0
  O  O11  1  0.396  0.846  0.879  1.0
  O  O12  1  0.846  0.396  0.879  1.0
  O  O13  1  0.871  0.871  0.385  1.0
  O  O14  1  0.871  0.871  0.872  1.0
[/CIF]
.