The material described by CaZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Ca(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted CaO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-66°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Ca(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ca(1)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 are 51°. Zn(1) is bonded in a 5-coordinate geometry to one O(2), 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 to one Ca(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form OCaZn2Fe2 trigonal bipyramids that share corners with five equivalent O(4)Zn2Fe2 tetrahedra,  a cornercorner with one O(1)CaZn2Fe2 trigonal bipyramid, and  a faceface with one O(1)CaZn2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(1), 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 Ca(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. 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 tetrahedra that share  a cornercorner with one O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(1)CaZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Zn2Fe2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   6.327
_cell_length_c   6.481
_cell_angle_alpha   59.195
_cell_angle_beta   59.195
_cell_angle_gamma   58.622
_symmetry_Int_Tables_number   1
_cell_volume   179.275
_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  0.199  0.199  0.801  1.0
  Zn  Zn1  1  0.164  0.724  0.556  1.0
  Zn  Zn2  1  0.724  0.164  0.556  1.0
  Fe  Fe3  1  0.875  0.875  0.125  1.0
  Fe  Fe4  1  0.317  0.317  0.183  1.0
  Fe  Fe5  1  0.620  0.620  0.110  1.0
  Fe  Fe6  1  0.620  0.620  0.650  1.0
  O  O7  1  0.403  0.403  0.397  1.0
  O  O8  1  0.403  0.403  0.798  1.0
  O  O9  1  0.435  0.892  0.337  1.0
  O  O10  1  0.892  0.435  0.337  1.0
  O  O11  1  0.354  0.777  0.934  1.0
  O  O12  1  0.777  0.354  0.934  1.0
  O  O13  1  0.848  0.848  0.451  1.0
  O  O14  1  0.848  0.848  0.853  1.0
[/CIF]
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The material described by CaZn2(FeO2)4 crystallizes in the orthorhombic Imm2 space group. Ca(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted CaO4 tetrahedra that share corners with six equivalent Fe(3)O6 octahedra and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-66°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  an edgeedge with one Ca(1)O4 tetrahedra, and faces with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Ca(1)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 are 51°. Zn(1) is bonded in a 5-coordinate geometry to one O(2), 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 to one Ca(1), one Fe(2), one Fe(3), and two equivalent Zn(1) atoms to form OCaZn2Fe2 trigonal bipyramids that share corners with five equivalent O(4)Zn2Fe2 tetrahedra,  a cornercorner with one O(1)CaZn2Fe2 trigonal bipyramid, and  a faceface with one O(1)CaZn2Fe2 trigonal bipyramid. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(1), 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 Ca(1), one Fe(1), one Fe(2), and two equivalent Fe(3) atoms. 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 tetrahedra that share  a cornercorner with one O(4)Zn2Fe2 tetrahedra, corners with five equivalent O(1)CaZn2Fe2 trigonal bipyramids, and  an edgeedge with one O(4)Zn2Fe2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.327
_cell_length_b   6.327
_cell_length_c   6.481
_cell_angle_alpha   59.195
_cell_angle_beta   59.195
_cell_angle_gamma   58.622
_symmetry_Int_Tables_number   1
_cell_volume   179.275
_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  0.199  0.199  0.801  1.0
  Zn  Zn1  1  0.164  0.724  0.556  1.0
  Zn  Zn2  1  0.724  0.164  0.556  1.0
  Fe  Fe3  1  0.875  0.875  0.125  1.0
  Fe  Fe4  1  0.317  0.317  0.183  1.0
  Fe  Fe5  1  0.620  0.620  0.110  1.0
  Fe  Fe6  1  0.620  0.620  0.650  1.0
  O  O7  1  0.403  0.403  0.397  1.0
  O  O8  1  0.403  0.403  0.798  1.0
  O  O9  1  0.435  0.892  0.337  1.0
  O  O10  1  0.892  0.435  0.337  1.0
  O  O11  1  0.354  0.777  0.934  1.0
  O  O12  1  0.777  0.354  0.934  1.0
  O  O13  1  0.848  0.848  0.451  1.0
  O  O14  1  0.848  0.848  0.853  1.0
[/CIF]
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