The crystal structure described by Sr2Ti2As2OF2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent F(1) atoms. Ti(1) is bonded in a distorted linear geometry to four equivalent As(1) and two equivalent O(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Ti(1) atoms. O(1) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2Ti2As2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.153
_cell_length_b   10.153
_cell_length_c   10.153
_cell_angle_alpha   156.950
_cell_angle_beta   156.950
_cell_angle_gamma   32.825
_symmetry_Int_Tables_number   1
_cell_volume   160.315
_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  0.323  0.323  0.000  1.0
  Sr  Sr1  1  0.677  0.677  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  As  As4  1  0.908  0.908  0.000  1.0
  As  As5  1  0.092  0.092  0.000  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  F  F7  1  0.250  0.750  0.500  1.0
  F  F8  1  0.750  0.250  0.500  1.0
[/CIF]
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The crystal structure described by Sr2Ti2As2OF2 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent F(1) atoms. Ti(1) is bonded in a distorted linear geometry to four equivalent As(1) and two equivalent O(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Ti(1) atoms. O(1) is bonded in a square co-planar geometry to four equivalent Ti(1) atoms. F(1) is bonded to four equivalent Sr(1) atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. is represented by the CIF file [CIF]
data_Sr2Ti2As2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.153
_cell_length_b   10.153
_cell_length_c   10.153
_cell_angle_alpha   156.950
_cell_angle_beta   156.950
_cell_angle_gamma   32.825
_symmetry_Int_Tables_number   1
_cell_volume   160.315
_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  0.323  0.323  0.000  1.0
  Sr  Sr1  1  0.677  0.677  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  As  As4  1  0.908  0.908  0.000  1.0
  As  As5  1  0.092  0.092  0.000  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  F  F7  1  0.250  0.750  0.500  1.0
  F  F8  1  0.750  0.250  0.500  1.0
[/CIF]
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