The crystal structure described by BaZn(FeO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Fe(1)O4 tetrahedra, and faces with two equivalent Zn(1)O6 octahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Fe(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Fe(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBaZnFe2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_BaZn(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   5.432
_cell_length_c   7.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.124
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.744  1.0
  Fe  Fe3  1  0.667  0.333  0.744  1.0
  Fe  Fe4  1  0.333  0.667  0.256  1.0
  Fe  Fe5  1  0.667  0.333  0.256  1.0
  O  O6  1  0.317  0.317  0.679  1.0
  O  O7  1  0.683  0.000  0.679  1.0
  O  O8  1  0.000  0.683  0.679  1.0
  O  O9  1  0.683  0.683  0.321  1.0
  O  O10  1  0.000  0.317  0.321  1.0
  O  O11  1  0.317  0.000  0.321  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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The crystal structure described by BaZn(FeO2)4 crystallizes in the trigonal P-31m space group. Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with twelve equivalent Fe(1)O4 tetrahedra, and faces with two equivalent Zn(1)O6 octahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 56°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with twelve equivalent Fe(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Fe(1), and one Zn(1) atom to form a mixture of distorted edge and corner-sharing OBaZnFe2 trigonal pyramids. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_BaZn(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.432
_cell_length_b   5.432
_cell_length_c   7.363
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   188.124
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.333  0.667  0.744  1.0
  Fe  Fe3  1  0.667  0.333  0.744  1.0
  Fe  Fe4  1  0.333  0.667  0.256  1.0
  Fe  Fe5  1  0.667  0.333  0.256  1.0
  O  O6  1  0.317  0.317  0.679  1.0
  O  O7  1  0.683  0.000  0.679  1.0
  O  O8  1  0.000  0.683  0.679  1.0
  O  O9  1  0.683  0.683  0.321  1.0
  O  O10  1  0.000  0.317  0.321  1.0
  O  O11  1  0.317  0.000  0.321  1.0
  O  O12  1  0.333  0.667  0.000  1.0
  O  O13  1  0.667  0.333  0.000  1.0
[/CIF]
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