The structure described by SrBa(FeO2)4 is Cuprite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure consists of one 7440-24-6 atom inside a Ba(FeO2)4 framework. In the Ba(FeO2)4 framework, Ba(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_BaSr(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   5.995
_cell_length_c   10.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.460
_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  0.688  1.0
  Fe  Fe3  1  0.667  0.333  0.312  1.0
  Fe  Fe4  1  0.333  0.667  0.812  1.0
  Fe  Fe5  1  0.333  0.667  0.188  1.0
  O  O6  1  0.500  0.500  0.249  1.0
  O  O7  1  0.500  0.000  0.249  1.0
  O  O8  1  1.000  0.500  0.751  1.0
  O  O9  1  0.500  0.000  0.751  1.0
  O  O10  1  0.667  0.333  0.500  1.0
  O  O11  1  1.000  0.500  0.249  1.0
  O  O12  1  0.500  0.500  0.751  1.0
  O  O13  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by SrBa(FeO2)4 is Cuprite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure consists of one 7440-24-6 atom inside a Ba(FeO2)4 framework. In the Ba(FeO2)4 framework, Ba(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_BaSr(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   5.995
_cell_length_c   10.038
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   312.460
_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  0.688  1.0
  Fe  Fe3  1  0.667  0.333  0.312  1.0
  Fe  Fe4  1  0.333  0.667  0.812  1.0
  Fe  Fe5  1  0.333  0.667  0.188  1.0
  O  O6  1  0.500  0.500  0.249  1.0
  O  O7  1  0.500  0.000  0.249  1.0
  O  O8  1  1.000  0.500  0.751  1.0
  O  O9  1  0.500  0.000  0.751  1.0
  O  O10  1  0.667  0.333  0.500  1.0
  O  O11  1  1.000  0.500  0.249  1.0
  O  O12  1  0.500  0.500  0.751  1.0
  O  O13  1  0.333  0.667  0.000  1.0
[/CIF]
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