The material described by CoCdF5 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted CoF5 trigonal bipyramids that share corners with six equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. Cd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CdF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra and corners with six equivalent Co(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Cd(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Cd(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Cd(1) atom. is represented by the CIF file [CIF]
data_CdCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   5.636
_cell_length_c   7.919
_cell_angle_alpha   69.338
_cell_angle_beta   69.338
_cell_angle_gamma   72.761
_symmetry_Int_Tables_number   1
_cell_volume   215.975
_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  0.000  0.000  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.515  0.485  0.750  1.0
  Co  Co3  1  0.485  0.515  0.250  1.0
  F  F4  1  0.665  0.773  0.150  1.0
  F  F5  1  0.335  0.227  0.850  1.0
  F  F6  1  0.227  0.335  0.350  1.0
  F  F7  1  0.773  0.665  0.650  1.0
  F  F8  1  0.850  0.150  0.750  1.0
  F  F9  1  0.150  0.850  0.250  1.0
  F  F10  1  0.333  0.692  0.569  1.0
  F  F11  1  0.667  0.308  0.431  1.0
  F  F12  1  0.308  0.667  0.931  1.0
  F  F13  1  0.692  0.333  0.069  1.0
[/CIF]
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The material described by CoCdF5 crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one F(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted CoF5 trigonal bipyramids that share corners with six equivalent Cd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 18-63°. Cd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CdF6 octahedra that share corners with two equivalent Cd(1)F6 octahedra and corners with six equivalent Co(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Cd(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent Cd(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Cd(1) atom. is represented by the CIF file [CIF]
data_CdCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.636
_cell_length_b   5.636
_cell_length_c   7.919
_cell_angle_alpha   69.338
_cell_angle_beta   69.338
_cell_angle_gamma   72.761
_symmetry_Int_Tables_number   1
_cell_volume   215.975
_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  0.000  0.000  0.500  1.0
  Cd  Cd1  1  0.000  0.000  0.000  1.0
  Co  Co2  1  0.515  0.485  0.750  1.0
  Co  Co3  1  0.485  0.515  0.250  1.0
  F  F4  1  0.665  0.773  0.150  1.0
  F  F5  1  0.335  0.227  0.850  1.0
  F  F6  1  0.227  0.335  0.350  1.0
  F  F7  1  0.773  0.665  0.650  1.0
  F  F8  1  0.850  0.150  0.750  1.0
  F  F9  1  0.150  0.850  0.250  1.0
  F  F10  1  0.333  0.692  0.569  1.0
  F  F11  1  0.667  0.308  0.431  1.0
  F  F12  1  0.308  0.667  0.931  1.0
  F  F13  1  0.692  0.333  0.069  1.0
[/CIF]
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