The structure described by LiZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OLiZn2Fe2 square pyramids that share  a cornercorner with one O(2)LiZnFe3 square pyramid, corners with five equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with three equivalent O(1)LiZn2Fe2 square pyramids, edges with three equivalent O(2)LiZnFe3 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OLiZnFe3 square pyramids that share corners with two equivalent O(1)LiZn2Fe2 square pyramids, corners with four equivalent O(2)LiZnFe3 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with six equivalent O(1)LiZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)LiZnFe3 square pyramids, corners with six equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(2)LiZnFe3 square pyramid, and edges with two equivalent O(1)LiZn2Fe2 square pyramids. is represented by the CIF card [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   5.891
_cell_length_c   5.942
_cell_angle_alpha   59.711
_cell_angle_beta   61.286
_cell_angle_gamma   61.789
_symmetry_Int_Tables_number   1
_cell_volume   156.155
_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  0.625  0.125  0.125  1.0
  Zn  Zn1  1  0.125  0.625  0.625  1.0
  Zn  Zn2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.062  0.970  0.984  1.0
  Fe  Fe4  1  0.188  0.280  0.266  1.0
  Fe  Fe5  1  0.625  0.625  0.125  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.376  0.383  0.365  1.0
  O  O8  1  0.376  0.383  0.876  1.0
  O  O9  1  0.381  0.882  0.368  1.0
  O  O10  1  0.824  0.400  0.388  1.0
  O  O11  1  0.426  0.850  0.862  1.0
  O  O12  1  0.869  0.368  0.882  1.0
  O  O13  1  0.874  0.867  0.374  1.0
  O  O14  1  0.874  0.867  0.885  1.0
[/CIF]
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The structure described by LiZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), one Fe(2), one Zn(1), and one Zn(2) atom to form OLiZn2Fe2 square pyramids that share  a cornercorner with one O(2)LiZnFe3 square pyramid, corners with five equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with three equivalent O(1)LiZn2Fe2 square pyramids, edges with three equivalent O(2)LiZnFe3 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the second O site, O(2) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Zn(1) atom to form OLiZnFe3 square pyramids that share corners with two equivalent O(1)LiZn2Fe2 square pyramids, corners with four equivalent O(2)LiZnFe3 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids, edges with six equivalent O(1)LiZn2Fe2 square pyramids, and  an edgeedge with one O(3)ZnFe3 trigonal pyramid. In the third O site, O(3) is bonded to one Fe(1), two equivalent Fe(2), and one Zn(2) atom to form distorted OZnFe3 trigonal pyramids that share corners with three equivalent O(2)LiZnFe3 square pyramids, corners with six equivalent O(1)LiZn2Fe2 square pyramids, corners with three equivalent O(3)ZnFe3 trigonal pyramids,  an edgeedge with one O(2)LiZnFe3 square pyramid, and edges with two equivalent O(1)LiZn2Fe2 square pyramids. is represented by the CIF card [CIF]
data_LiZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.184
_cell_length_b   5.891
_cell_length_c   5.942
_cell_angle_alpha   59.711
_cell_angle_beta   61.286
_cell_angle_gamma   61.789
_symmetry_Int_Tables_number   1
_cell_volume   156.155
_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  0.625  0.125  0.125  1.0
  Zn  Zn1  1  0.125  0.625  0.625  1.0
  Zn  Zn2  1  0.625  0.125  0.625  1.0
  Fe  Fe3  1  0.062  0.970  0.984  1.0
  Fe  Fe4  1  0.188  0.280  0.266  1.0
  Fe  Fe5  1  0.625  0.625  0.125  1.0
  Fe  Fe6  1  0.625  0.625  0.625  1.0
  O  O7  1  0.376  0.383  0.365  1.0
  O  O8  1  0.376  0.383  0.876  1.0
  O  O9  1  0.381  0.882  0.368  1.0
  O  O10  1  0.824  0.400  0.388  1.0
  O  O11  1  0.426  0.850  0.862  1.0
  O  O12  1  0.869  0.368  0.882  1.0
  O  O13  1  0.874  0.867  0.374  1.0
  O  O14  1  0.874  0.867  0.885  1.0
[/CIF]
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