The compound described by Sr2Fe2S2OF2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent F(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent S(1) and two equivalent O(1) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Fe(1) atoms. O(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr2Fe2S2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.095
_cell_length_b   4.096
_cell_length_c   9.560
_cell_angle_alpha   77.630
_cell_angle_beta   77.635
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   152.832
_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
  F  F0  1  0.250  0.750  0.500  1.0
  F  F1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.500  1.000  1.0
  Fe  Fe3  1  0.500  0.000  1.000  1.0
  O  O4  1  0.500  0.500  1.000  1.0
  S  S5  1  0.905  0.905  0.189  1.0
  S  S6  1  0.095  0.095  0.811  1.0
  Sr  Sr7  1  0.672  0.672  0.657  1.0
  Sr  Sr8  1  0.328  0.328  0.343  1.0
[/CIF]
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The compound described by Sr2Fe2S2OF2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) and four equivalent F(1) atoms. Fe(1) is bonded in a distorted linear geometry to four equivalent S(1) and two equivalent O(1) atoms. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Fe(1) atoms. O(1) is bonded in a distorted square co-planar geometry to four equivalent Fe(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of edge and corner-sharing FSr4 tetrahedra. is represented by the CIF card [CIF]
data_Sr2Fe2S2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.095
_cell_length_b   4.096
_cell_length_c   9.560
_cell_angle_alpha   77.630
_cell_angle_beta   77.635
_cell_angle_gamma   89.993
_symmetry_Int_Tables_number   1
_cell_volume   152.832
_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
  F  F0  1  0.250  0.750  0.500  1.0
  F  F1  1  0.750  0.250  0.500  1.0
  Fe  Fe2  1  0.000  0.500  1.000  1.0
  Fe  Fe3  1  0.500  0.000  1.000  1.0
  O  O4  1  0.500  0.500  1.000  1.0
  S  S5  1  0.905  0.905  0.189  1.0
  S  S6  1  0.095  0.095  0.811  1.0
  Sr  Sr7  1  0.672  0.672  0.657  1.0
  Sr  Sr8  1  0.328  0.328  0.343  1.0
[/CIF]
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