The material described by LiZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent Fe(3), two equivalent Zn(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiZn2Fe2O4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. 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 four equivalent Li(1)Zn2Fe2O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to 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 in a 7-coordinate geometry to one Li(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(3), and one Zn(1) atom. 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 in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   6.235
_cell_angle_alpha   59.586
_cell_angle_beta   59.586
_cell_angle_gamma   61.511
_symmetry_Int_Tables_number   1
_cell_volume   167.935
_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  0.751  0.751  0.749  1.0
  Zn  Zn1  1  0.157  0.600  0.622  1.0
  Zn  Zn2  1  0.600  0.157  0.622  1.0
  Fe  Fe3  1  1.000  1.000  0.000  1.0
  Fe  Fe4  1  0.256  0.256  0.244  1.0
  Fe  Fe5  1  0.619  0.619  0.168  1.0
  Fe  Fe6  1  0.619  0.619  0.594  1.0
  O  O7  1  0.384  0.384  0.372  1.0
  O  O8  1  0.384  0.384  0.860  1.0
  O  O9  1  0.375  0.872  0.376  1.0
  O  O10  1  0.872  0.375  0.376  1.0
  O  O11  1  0.391  0.868  0.870  1.0
  O  O12  1  0.868  0.391  0.870  1.0
  O  O13  1  0.862  0.862  0.390  1.0
  O  O14  1  0.862  0.862  0.887  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 to two equivalent Fe(3), two equivalent Zn(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiZn2Fe2O4 tetrahedra that share corners with four equivalent Fe(1)O4 tetrahedra. 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 four equivalent Li(1)Zn2Fe2O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to 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 in a 7-coordinate geometry to one Li(1), one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(3), and one Zn(1) atom. 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 in a 5-coordinate geometry to one Li(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   6.235
_cell_angle_alpha   59.586
_cell_angle_beta   59.586
_cell_angle_gamma   61.511
_symmetry_Int_Tables_number   1
_cell_volume   167.935
_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  0.751  0.751  0.749  1.0
  Zn  Zn1  1  0.157  0.600  0.622  1.0
  Zn  Zn2  1  0.600  0.157  0.622  1.0
  Fe  Fe3  1  1.000  1.000  0.000  1.0
  Fe  Fe4  1  0.256  0.256  0.244  1.0
  Fe  Fe5  1  0.619  0.619  0.168  1.0
  Fe  Fe6  1  0.619  0.619  0.594  1.0
  O  O7  1  0.384  0.384  0.372  1.0
  O  O8  1  0.384  0.384  0.860  1.0
  O  O9  1  0.375  0.872  0.376  1.0
  O  O10  1  0.872  0.375  0.376  1.0
  O  O11  1  0.391  0.868  0.870  1.0
  O  O12  1  0.868  0.391  0.870  1.0
  O  O13  1  0.862  0.862  0.390  1.0
  O  O14  1  0.862  0.862  0.887  1.0
[/CIF]
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