The structure described by CaZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and faces with two equivalent Fe(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 7-9°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted FeO4 trigonal pyramids that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, and  a faceface with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms to form distorted OZn2Fe2 tetrahedra that share corners with three equivalent O(2)CaZn2Fe2 square pyramids, corners with six equivalent O(3)CaZnFe3 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra,  an edgeedge with one O(2)CaZn2Fe2 square pyramid, and edges with two equivalent O(3)CaZnFe3 square pyramids. In the second O site, O(2) is bonded to one Ca(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form distorted OCaZn2Fe2 square pyramids that share corners with two equivalent O(3)CaZnFe3 square pyramids, corners with four equivalent O(2)CaZn2Fe2 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra, edges with six equivalent O(3)CaZnFe3 square pyramids, and  an edgeedge with one O(1)Zn2Fe2 tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Fe(1), one Fe(2), one Fe(3), and one Zn(1) atom to form distorted OCaZnFe3 square pyramids that share  a cornercorner with one O(2)CaZn2Fe2 square pyramid, corners with five equivalent O(3)CaZnFe3 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra, edges with three equivalent O(2)CaZn2Fe2 square pyramids, edges with three equivalent O(3)CaZnFe3 square pyramids, and  an edgeedge with one O(1)Zn2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_CaZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   6.408
_cell_angle_alpha   56.698
_cell_angle_beta   56.698
_cell_angle_gamma   54.805
_symmetry_Int_Tables_number   1
_cell_volume   174.446
_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
  Ca  Ca0  1  0.125  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  0.967  0.967  0.972  1.0
  Fe  Fe4  1  0.283  0.283  0.278  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  0.395  0.395  0.409  1.0
  O  O8  1  0.376  0.376  0.895  1.0
  O  O9  1  0.392  0.893  0.368  1.0
  O  O10  1  0.893  0.392  0.368  1.0
  O  O11  1  0.357  0.858  0.882  1.0
  O  O12  1  0.858  0.357  0.882  1.0
  O  O13  1  0.874  0.874  0.355  1.0
  O  O14  1  0.855  0.855  0.841  1.0
[/CIF]
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The structure described by CaZn2(FeO2)4 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted CaO6 octahedra that share corners with six equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and faces with two equivalent Fe(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 7-9°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted FeO4 trigonal pyramids that share corners with three equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with six equivalent Zn(1)O6 octahedra, and  a faceface with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. In the second Fe site, Fe(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra, corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(2), and two equivalent Zn(1) atoms to form distorted OZn2Fe2 tetrahedra that share corners with three equivalent O(2)CaZn2Fe2 square pyramids, corners with six equivalent O(3)CaZnFe3 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra,  an edgeedge with one O(2)CaZn2Fe2 square pyramid, and edges with two equivalent O(3)CaZnFe3 square pyramids. In the second O site, O(2) is bonded to one Ca(1), one Fe(1), one Fe(3), and two equivalent Zn(1) atoms to form distorted OCaZn2Fe2 square pyramids that share corners with two equivalent O(3)CaZnFe3 square pyramids, corners with four equivalent O(2)CaZn2Fe2 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra, edges with six equivalent O(3)CaZnFe3 square pyramids, and  an edgeedge with one O(1)Zn2Fe2 tetrahedra. In the third O site, O(3) is bonded to one Ca(1), one Fe(1), one Fe(2), one Fe(3), and one Zn(1) atom to form distorted OCaZnFe3 square pyramids that share  a cornercorner with one O(2)CaZn2Fe2 square pyramid, corners with five equivalent O(3)CaZnFe3 square pyramids, corners with three equivalent O(1)Zn2Fe2 tetrahedra, edges with three equivalent O(2)CaZn2Fe2 square pyramids, edges with three equivalent O(3)CaZnFe3 square pyramids, and  an edgeedge with one O(1)Zn2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_CaZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.511
_cell_length_b   6.511
_cell_length_c   6.408
_cell_angle_alpha   56.698
_cell_angle_beta   56.698
_cell_angle_gamma   54.805
_symmetry_Int_Tables_number   1
_cell_volume   174.446
_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
  Ca  Ca0  1  0.125  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  0.967  0.967  0.972  1.0
  Fe  Fe4  1  0.283  0.283  0.278  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  0.395  0.395  0.409  1.0
  O  O8  1  0.376  0.376  0.895  1.0
  O  O9  1  0.392  0.893  0.368  1.0
  O  O10  1  0.893  0.392  0.368  1.0
  O  O11  1  0.357  0.858  0.882  1.0
  O  O12  1  0.858  0.357  0.882  1.0
  O  O13  1  0.874  0.874  0.355  1.0
  O  O14  1  0.855  0.855  0.841  1.0
[/CIF]
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