The structure described by BaSr(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 Sr(1)O6 octahedra. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with twelve equivalent Fe(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Sr(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 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Sr(1), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OBaSrFe2 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 Crystallographic Information File (CIF) [CIF]
data_BaSr(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   8.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.006
_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
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.667  0.333  0.229  1.0
  Fe  Fe3  1  0.667  0.333  0.771  1.0
  Fe  Fe4  1  0.333  0.667  0.771  1.0
  Fe  Fe5  1  0.333  0.667  0.229  1.0
  O  O6  1  0.338  0.338  0.708  1.0
  O  O7  1  0.662  0.000  0.708  1.0
  O  O8  1  0.000  0.662  0.708  1.0
  O  O9  1  0.662  0.662  0.292  1.0
  O  O10  1  0.000  0.338  0.292  1.0
  O  O11  1  0.338  0.000  0.292  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 structure described by BaSr(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 Sr(1)O6 octahedra. Sr(1) is bonded to six equivalent O(1) atoms to form SrO6 octahedra that share corners with twelve equivalent Fe(1)O4 tetrahedra and faces with two equivalent Ba(1)O12 cuboctahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Sr(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 58°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Sr(1), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing OBaSrFe2 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 Crystallographic Information File (CIF) [CIF]
data_BaSr(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.564
_cell_length_b   5.564
_cell_length_c   8.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   220.006
_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
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Fe  Fe2  1  0.667  0.333  0.229  1.0
  Fe  Fe3  1  0.667  0.333  0.771  1.0
  Fe  Fe4  1  0.333  0.667  0.771  1.0
  Fe  Fe5  1  0.333  0.667  0.229  1.0
  O  O6  1  0.338  0.338  0.708  1.0
  O  O7  1  0.662  0.000  0.708  1.0
  O  O8  1  0.000  0.662  0.708  1.0
  O  O9  1  0.662  0.662  0.292  1.0
  O  O10  1  0.000  0.338  0.292  1.0
  O  O11  1  0.338  0.000  0.292  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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