The crystal structure described by BaSr4(FeO2)5 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to one O(2), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to one O(5), two equivalent O(1), two equivalent O(4), and three equivalent O(6) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Fe(3) atoms to form OSr4Fe2 octahedra that share corners with four equivalent O(5)BaSr3Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra, corners with six equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(6)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the second O site, O(2) 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 two equivalent O(6)Sr4Fe2 octahedra, corners with four equivalent O(2)Ba2Sr2Fe2 octahedra, corners with four equivalent O(3)Ba2Sr2Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(5)BaSr3Fe2 octahedra, and faces with four equivalent O(3)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(2)Ba2Sr2Fe2 octahedra, corners with two equivalent O(6)Sr4Fe2 octahedra, corners with three equivalent O(3)Ba2Sr2Fe2 octahedra, corners with three equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)BaSr3Fe2 octahedra,  an edgeedge with one O(4)Sr4Fe2 octahedra, edges with three equivalent O(3)Ba2Sr2Fe2 octahedra, faces with two equivalent O(2)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(5)BaSr3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Fe(3) atom to form OSr4Fe2 octahedra that share corners with two equivalent O(2)Ba2Sr2Fe2 octahedra, corners with two equivalent O(5)BaSr3Fe2 octahedra, corners with three equivalent O(3)Ba2Sr2Fe2 octahedra, corners with three equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra,  an edgeedge with one O(3)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(1)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)BaSr3Fe2 octahedra, and faces with two equivalent O(6)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fifth O site, O(5) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), and two equivalent Fe(2) atoms to form OBaSr3Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)Ba2Sr2Fe2 octahedra, corners with five equivalent O(5)BaSr3Fe2 octahedra, edges with two equivalent O(2)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(3)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Sr(1), three equivalent Sr(2), and two equivalent Fe(3) atoms to form OSr4Fe2 octahedra that share  a cornercorner with one O(2)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(5)BaSr3Fe2 octahedra, corners with two equivalent O(3)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra, edges with two equivalent O(5)BaSr3Fe2 octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr4Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_BaSr4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   5.434
_cell_length_c   13.422
_cell_angle_alpha   93.773
_cell_angle_beta   90.005
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   296.397
_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  1.000  1.0
  Fe  Fe1  1  1.000  0.000  1.000  1.0
  Fe  Fe2  1  1.000  0.592  0.207  1.0
  Fe  Fe3  1  0.000  0.406  0.793  1.0
  Fe  Fe4  1  1.000  0.800  0.599  1.0
  Fe  Fe5  1  1.000  0.201  0.401  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  1.000  0.282  0.110  1.0
  O  O9  1  0.000  0.718  0.890  1.0
  O  O10  1  1.000  0.897  0.304  1.0
  O  O11  1  0.000  0.103  0.696  1.0
  O  O12  1  0.500  0.596  0.208  1.0
  O  O13  1  0.500  0.404  0.792  1.0
  O  O14  1  0.500  0.800  0.599  1.0
  O  O15  1  0.500  0.200  0.401  1.0
  Sr  Sr16  1  0.500  0.905  0.796  1.0
  Sr  Sr17  1  0.500  0.095  0.204  1.0
  Sr  Sr18  1  0.500  0.300  0.598  1.0
  Sr  Sr19  1  0.500  0.701  0.402  1.0
[/CIF]
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The crystal structure described by BaSr4(FeO2)5 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to one O(2), one O(6), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to one O(5), two equivalent O(1), two equivalent O(4), and three equivalent O(6) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded in a square co-planar geometry to one O(3), one O(4), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(2) and two equivalent Fe(3) atoms to form OSr4Fe2 octahedra that share corners with four equivalent O(5)BaSr3Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra, corners with six equivalent O(4)Sr4Fe2 octahedra, edges with two equivalent O(1)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, and faces with four equivalent O(6)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-65°. In the second O site, O(2) 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 two equivalent O(6)Sr4Fe2 octahedra, corners with four equivalent O(2)Ba2Sr2Fe2 octahedra, corners with four equivalent O(3)Ba2Sr2Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(5)BaSr3Fe2 octahedra, and faces with four equivalent O(3)Ba2Sr2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Sr(1), one Fe(1), and one Fe(2) atom to form distorted OBa2Sr2Fe2 octahedra that share corners with two equivalent O(2)Ba2Sr2Fe2 octahedra, corners with two equivalent O(6)Sr4Fe2 octahedra, corners with three equivalent O(3)Ba2Sr2Fe2 octahedra, corners with three equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(5)BaSr3Fe2 octahedra,  an edgeedge with one O(4)Sr4Fe2 octahedra, edges with three equivalent O(3)Ba2Sr2Fe2 octahedra, faces with two equivalent O(2)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(5)BaSr3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Fe(2), and one Fe(3) atom to form OSr4Fe2 octahedra that share corners with two equivalent O(2)Ba2Sr2Fe2 octahedra, corners with two equivalent O(5)BaSr3Fe2 octahedra, corners with three equivalent O(3)Ba2Sr2Fe2 octahedra, corners with three equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra,  an edgeedge with one O(3)Ba2Sr2Fe2 octahedra,  an edgeedge with one O(1)Sr4Fe2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra, faces with two equivalent O(5)BaSr3Fe2 octahedra, and faces with two equivalent O(6)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the fifth O site, O(5) is bonded to one Ba(1), one Sr(2), two equivalent Sr(1), and two equivalent Fe(2) atoms to form OBaSr3Fe2 octahedra that share  a cornercorner with one O(6)Sr4Fe2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(3)Ba2Sr2Fe2 octahedra, corners with five equivalent O(5)BaSr3Fe2 octahedra, edges with two equivalent O(2)Ba2Sr2Fe2 octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(3)Ba2Sr2Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the sixth O site, O(6) is bonded to one Sr(1), three equivalent Sr(2), and two equivalent Fe(3) atoms to form OSr4Fe2 octahedra that share  a cornercorner with one O(2)Ba2Sr2Fe2 octahedra,  a cornercorner with one O(5)BaSr3Fe2 octahedra, corners with two equivalent O(3)Ba2Sr2Fe2 octahedra, corners with two equivalent O(1)Sr4Fe2 octahedra, corners with four equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Fe2 octahedra, edges with two equivalent O(5)BaSr3Fe2 octahedra, edges with two equivalent O(6)Sr4Fe2 octahedra, faces with two equivalent O(1)Sr4Fe2 octahedra, and faces with two equivalent O(4)Sr4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. is represented by the CIF card [CIF]
data_BaSr4(FeO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.073
_cell_length_b   5.434
_cell_length_c   13.422
_cell_angle_alpha   93.773
_cell_angle_beta   90.005
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   296.397
_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  1.000  1.0
  Fe  Fe1  1  1.000  0.000  1.000  1.0
  Fe  Fe2  1  1.000  0.592  0.207  1.0
  Fe  Fe3  1  0.000  0.406  0.793  1.0
  Fe  Fe4  1  1.000  0.800  0.599  1.0
  Fe  Fe5  1  1.000  0.201  0.401  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.000  0.000  1.0
  O  O8  1  1.000  0.282  0.110  1.0
  O  O9  1  0.000  0.718  0.890  1.0
  O  O10  1  1.000  0.897  0.304  1.0
  O  O11  1  0.000  0.103  0.696  1.0
  O  O12  1  0.500  0.596  0.208  1.0
  O  O13  1  0.500  0.404  0.792  1.0
  O  O14  1  0.500  0.800  0.599  1.0
  O  O15  1  0.500  0.200  0.401  1.0
  Sr  Sr16  1  0.500  0.905  0.796  1.0
  Sr  Sr17  1  0.500  0.095  0.204  1.0
  Sr  Sr18  1  0.500  0.300  0.598  1.0
  Sr  Sr19  1  0.500  0.701  0.402  1.0
[/CIF]
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