The compound described by BaSr4(FeO2)5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(1) atoms to form OBa2Sr2Fe2 octahedra that share corners with six equivalent O(2)Sr4Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra, edges with three equivalent O(1)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(2) atoms to form OSr4Fe2 octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(1)Ba2Sr2Fe2 octahedra, corners with six equivalent O(3)Sr4Fe2 octahedra,  an edgeedge with one O(1)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(3)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to four equivalent Sr(2) and two equivalent Fe(3) atoms to form a mixture of face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_BaSr4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   4.073
_cell_length_c   17.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.146
_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  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.205  1.0
  Sr  Sr2  1  0.500  0.500  0.401  1.0
  Sr  Sr3  1  0.500  0.500  0.599  1.0
  Sr  Sr4  1  0.500  0.500  0.795  1.0
  Fe  Fe5  1  0.000  0.000  0.890  1.0
  Fe  Fe6  1  0.000  0.000  0.110  1.0
  Fe  Fe7  1  0.000  0.000  0.303  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.697  1.0
  O  O10  1  0.000  0.500  0.891  1.0
  O  O11  1  0.000  0.500  0.109  1.0
  O  O12  1  0.000  0.500  0.304  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.000  0.500  0.696  1.0
  O  O15  1  0.500  0.000  0.891  1.0
  O  O16  1  0.500  0.000  0.109  1.0
  O  O17  1  0.500  0.000  0.304  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.500  0.000  0.696  1.0
[/CIF]
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The compound described by BaSr4(FeO2)5 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Fe(1) atoms to form OBa2Sr2Fe2 octahedra that share corners with six equivalent O(2)Sr4Fe2 octahedra, corners with eight equivalent O(1)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(2)Sr4Fe2 octahedra, edges with three equivalent O(1)Ba2Sr2Fe2 octahedra, and faces with four equivalent O(1)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(2) atoms to form OSr4Fe2 octahedra that share corners with two equivalent O(2)Sr4Fe2 octahedra, corners with six equivalent O(1)Ba2Sr2Fe2 octahedra, corners with six equivalent O(3)Sr4Fe2 octahedra,  an edgeedge with one O(1)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(3)Sr4Fe2 octahedra, edges with two equivalent O(2)Sr4Fe2 octahedra, and faces with four equivalent O(2)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded to four equivalent Sr(2) and two equivalent Fe(3) atoms to form a mixture of face, corner, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. is represented by the CIF file [CIF]
data_BaSr4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   4.073
_cell_length_c   17.787
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.146
_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  0.500  0.500  0.000  1.0
  Sr  Sr1  1  0.500  0.500  0.205  1.0
  Sr  Sr2  1  0.500  0.500  0.401  1.0
  Sr  Sr3  1  0.500  0.500  0.599  1.0
  Sr  Sr4  1  0.500  0.500  0.795  1.0
  Fe  Fe5  1  0.000  0.000  0.890  1.0
  Fe  Fe6  1  0.000  0.000  0.110  1.0
  Fe  Fe7  1  0.000  0.000  0.303  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.000  0.697  1.0
  O  O10  1  0.000  0.500  0.891  1.0
  O  O11  1  0.000  0.500  0.109  1.0
  O  O12  1  0.000  0.500  0.304  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.000  0.500  0.696  1.0
  O  O15  1  0.500  0.000  0.891  1.0
  O  O16  1  0.500  0.000  0.109  1.0
  O  O17  1  0.500  0.000  0.304  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.500  0.000  0.696  1.0
[/CIF]
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