The material structure described by Sr4Fe3O8Cl crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent Cl(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra and corners with four equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(2) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Fe2 tetrahedra. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(2) atoms. is represented by the CIF card [CIF]
data_Sr4Fe3ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.971
_cell_length_b   3.971
_cell_length_c   15.643
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.624
_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
  Sr  Sr0  1  0.000  0.000  0.612  1.0
  Sr  Sr1  1  0.000  0.000  0.125  1.0
  Sr  Sr2  1  0.000  0.000  0.388  1.0
  Sr  Sr3  1  0.000  0.000  0.875  1.0
  Fe  Fe4  1  0.500  0.500  0.754  1.0
  Fe  Fe5  1  0.500  0.500  0.246  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.635  1.0
  O  O10  1  0.000  0.500  0.788  1.0
  O  O11  1  0.500  0.500  0.365  1.0
  O  O12  1  0.500  0.000  0.212  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.000  0.500  0.212  1.0
  O  O15  1  0.500  0.000  0.788  1.0
[/CIF]
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The material structure described by Sr4Fe3O8Cl crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent O(3) and four equivalent Cl(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra and corners with four equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Fe(2) atoms to form a mixture of edge, corner, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(2) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OSr2Fe2 tetrahedra. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Sr(2) atoms. is represented by the CIF card [CIF]
data_Sr4Fe3ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.971
_cell_length_b   3.971
_cell_length_c   15.643
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   246.624
_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
  Sr  Sr0  1  0.000  0.000  0.612  1.0
  Sr  Sr1  1  0.000  0.000  0.125  1.0
  Sr  Sr2  1  0.000  0.000  0.388  1.0
  Sr  Sr3  1  0.000  0.000  0.875  1.0
  Fe  Fe4  1  0.500  0.500  0.754  1.0
  Fe  Fe5  1  0.500  0.500  0.246  1.0
  Fe  Fe6  1  0.500  0.500  0.500  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.500  0.000  0.500  1.0
  O  O9  1  0.500  0.500  0.635  1.0
  O  O10  1  0.000  0.500  0.788  1.0
  O  O11  1  0.500  0.500  0.365  1.0
  O  O12  1  0.500  0.000  0.212  1.0
  O  O13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.000  0.500  0.212  1.0
  O  O15  1  0.500  0.000  0.788  1.0
[/CIF]
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