The structure described by CrOF is Rutile-derived structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CrO3F3 octahedra. The corner-sharing octahedral tilt angles are 49°. O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.054
_cell_length_b   4.864
_cell_length_c   9.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.175
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.250  0.911  0.380  1.0
  Cr  Cr1  1  0.750  0.089  0.620  1.0
  Cr  Cr2  1  0.750  0.411  0.120  1.0
  Cr  Cr3  1  0.250  0.589  0.880  1.0
  O  O4  1  0.750  0.787  0.488  1.0
  O  O5  1  0.250  0.213  0.512  1.0
  O  O6  1  0.250  0.287  0.012  1.0
  O  O7  1  0.750  0.713  0.988  1.0
  F  F8  1  0.750  0.077  0.257  1.0
  F  F9  1  0.250  0.923  0.743  1.0
  F  F10  1  0.250  0.577  0.243  1.0
  F  F11  1  0.750  0.423  0.757  1.0
[/CIF]
.
The structure described by CrOF is Rutile-derived structured and crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CrO3F3 octahedra. The corner-sharing octahedral tilt angles are 49°. O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_CrOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.054
_cell_length_b   4.864
_cell_length_c   9.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.175
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.250  0.911  0.380  1.0
  Cr  Cr1  1  0.750  0.089  0.620  1.0
  Cr  Cr2  1  0.750  0.411  0.120  1.0
  Cr  Cr3  1  0.250  0.589  0.880  1.0
  O  O4  1  0.750  0.787  0.488  1.0
  O  O5  1  0.250  0.213  0.512  1.0
  O  O6  1  0.250  0.287  0.012  1.0
  O  O7  1  0.750  0.713  0.988  1.0
  F  F8  1  0.750  0.077  0.257  1.0
  F  F9  1  0.250  0.923  0.743  1.0
  F  F10  1  0.250  0.577  0.243  1.0
  F  F11  1  0.750  0.423  0.757  1.0
[/CIF]
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