The compound described by CsCrO3F crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent F(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCrO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   8.691
_cell_angle_alpha   69.487
_cell_angle_beta   69.487
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   261.873
_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
  Cs  Cs0  1  0.868  0.625  0.248  1.0
  Cs  Cs1  1  0.125  0.368  0.748  1.0
  Cr  Cr2  1  0.382  0.123  0.253  1.0
  Cr  Cr3  1  0.623  0.882  0.753  1.0
  O  O4  1  0.687  0.171  0.628  1.0
  O  O5  1  0.671  0.187  0.128  1.0
  O  O6  1  0.789  0.817  0.874  1.0
  O  O7  1  0.317  0.289  0.374  1.0
  O  O8  1  0.315  0.833  0.377  1.0
  O  O9  1  0.333  0.815  0.877  1.0
  F  F10  1  0.199  0.190  0.120  1.0
  F  F11  1  0.690  0.699  0.620  1.0
[/CIF]
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The compound described by CsCrO3F crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 12-coordinate geometry to three equivalent O(1), three equivalent O(2), three equivalent O(3), and three equivalent F(1) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCrO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.890
_cell_length_b   5.890
_cell_length_c   8.691
_cell_angle_alpha   69.487
_cell_angle_beta   69.487
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   261.873
_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
  Cs  Cs0  1  0.868  0.625  0.248  1.0
  Cs  Cs1  1  0.125  0.368  0.748  1.0
  Cr  Cr2  1  0.382  0.123  0.253  1.0
  Cr  Cr3  1  0.623  0.882  0.753  1.0
  O  O4  1  0.687  0.171  0.628  1.0
  O  O5  1  0.671  0.187  0.128  1.0
  O  O6  1  0.789  0.817  0.874  1.0
  O  O7  1  0.317  0.289  0.374  1.0
  O  O8  1  0.315  0.833  0.377  1.0
  O  O9  1  0.333  0.815  0.877  1.0
  F  F10  1  0.199  0.190  0.120  1.0
  F  F11  1  0.690  0.699  0.620  1.0
[/CIF]
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