The crystal structure described by SrFeO2F crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. F(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrFeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   5.700
_cell_angle_alpha   59.802
_cell_angle_beta   59.802
_cell_angle_gamma   88.589
_symmetry_Int_Tables_number   1
_cell_volume   128.487
_cell_formula_units_Z   2
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  0.254  0.254  0.512  1.0
  Sr  Sr1  1  0.746  0.746  0.488  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.688  0.688  0.094  1.0
  O  O5  1  0.312  0.312  0.906  1.0
  O  O6  1  0.232  0.768  0.000  1.0
  O  O7  1  0.768  0.232  0.000  1.0
  F  F8  1  0.800  0.200  0.500  1.0
  F  F9  1  0.200  0.800  0.500  1.0
[/CIF]
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The crystal structure described by SrFeO2F crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form corner-sharing FeO4F2 octahedra. The corner-sharing octahedral tilt angles range from 8-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. F(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrFeO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   5.630
_cell_length_c   5.700
_cell_angle_alpha   59.802
_cell_angle_beta   59.802
_cell_angle_gamma   88.589
_symmetry_Int_Tables_number   1
_cell_volume   128.487
_cell_formula_units_Z   2
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  0.254  0.254  0.512  1.0
  Sr  Sr1  1  0.746  0.746  0.488  1.0
  Fe  Fe2  1  0.500  0.000  0.000  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.688  0.688  0.094  1.0
  O  O5  1  0.312  0.312  0.906  1.0
  O  O6  1  0.232  0.768  0.000  1.0
  O  O7  1  0.768  0.232  0.000  1.0
  F  F8  1  0.800  0.200  0.500  1.0
  F  F9  1  0.200  0.800  0.500  1.0
[/CIF]
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