The material described by CdOF is Baddeleyite-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Cd(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent F(1) atoms. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cd(1) atoms. F(1) is bonded to four equivalent Cd(1) atoms to form a mixture of edge and corner-sharing FCd4 tetrahedra. is represented by the CIF file [CIF]
data_CdOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   4.058
_cell_length_c   7.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.627
_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
  Cd  Cd0  1  0.726  0.057  0.887  1.0
  Cd  Cd1  1  0.774  0.943  0.387  1.0
  Cd  Cd2  1  0.226  0.443  0.113  1.0
  Cd  Cd3  1  0.274  0.557  0.613  1.0
  O  O4  1  0.967  0.900  0.658  1.0
  O  O5  1  0.533  0.100  0.158  1.0
  O  O6  1  0.467  0.600  0.342  1.0
  O  O7  1  0.033  0.400  0.842  1.0
  F  F8  1  0.517  0.579  0.882  1.0
  F  F9  1  0.983  0.421  0.382  1.0
  F  F10  1  0.017  0.921  0.118  1.0
  F  F11  1  0.483  0.079  0.618  1.0
[/CIF]
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The material described by CdOF is Baddeleyite-derived structured and crystallizes in the orthorhombic P2_12_12_1 space group. Cd(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent F(1) atoms. O(1) is bonded in a trigonal non-coplanar geometry to three equivalent Cd(1) atoms. F(1) is bonded to four equivalent Cd(1) atoms to form a mixture of edge and corner-sharing FCd4 tetrahedra. is represented by the CIF file [CIF]
data_CdOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   4.058
_cell_length_c   7.282
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.627
_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
  Cd  Cd0  1  0.726  0.057  0.887  1.0
  Cd  Cd1  1  0.774  0.943  0.387  1.0
  Cd  Cd2  1  0.226  0.443  0.113  1.0
  Cd  Cd3  1  0.274  0.557  0.613  1.0
  O  O4  1  0.967  0.900  0.658  1.0
  O  O5  1  0.533  0.100  0.158  1.0
  O  O6  1  0.467  0.600  0.342  1.0
  O  O7  1  0.033  0.400  0.842  1.0
  F  F8  1  0.517  0.579  0.882  1.0
  F  F9  1  0.983  0.421  0.382  1.0
  F  F10  1  0.017  0.921  0.118  1.0
  F  F11  1  0.483  0.079  0.618  1.0
[/CIF]
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