The material described by Cd(OH)F crystallizes in the monoclinic P2_1 space group. Cd(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one H(1) atom. F(1) is bonded in a 3-coordinate geometry to three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_CdHOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.534
_cell_length_b   4.845
_cell_length_c   5.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.083
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.367
_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
  Cd  Cd0  1  0.748  0.755  0.983  1.0
  Cd  Cd1  1  0.252  0.255  0.517  1.0
  H  H2  1  0.750  0.684  0.522  1.0
  H  H3  1  0.250  0.184  0.978  1.0
  O  O4  1  0.248  0.022  0.870  1.0
  O  O5  1  0.752  0.522  0.630  1.0
  F  F6  1  0.249  0.480  0.144  1.0
  F  F7  1  0.751  0.980  0.356  1.0
[/CIF]
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The material described by Cd(OH)F crystallizes in the monoclinic P2_1 space group. Cd(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of corner and edge-sharing CdO3F3 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one H(1) atom. F(1) is bonded in a 3-coordinate geometry to three equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_CdHOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.534
_cell_length_b   4.845
_cell_length_c   5.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.083
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.367
_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
  Cd  Cd0  1  0.748  0.755  0.983  1.0
  Cd  Cd1  1  0.252  0.255  0.517  1.0
  H  H2  1  0.750  0.684  0.522  1.0
  H  H3  1  0.250  0.184  0.978  1.0
  O  O4  1  0.248  0.022  0.870  1.0
  O  O5  1  0.752  0.522  0.630  1.0
  F  F6  1  0.249  0.480  0.144  1.0
  F  F7  1  0.751  0.980  0.356  1.0
[/CIF]
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