The crystal structure described by CdNF3 crystallizes in the orthorhombic Pnma space group. Cd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. N(1) is bonded in a bent 150 degrees geometry to two equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd(1) and one N(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_CdNF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.384
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.110
_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  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.620  0.875  0.250  1.0
  N  N5  1  0.880  0.375  0.250  1.0
  N  N6  1  0.380  0.125  0.750  1.0
  N  N7  1  0.120  0.625  0.750  1.0
  F  F8  1  0.661  0.831  0.046  1.0
  F  F9  1  0.839  0.331  0.454  1.0
  F  F10  1  0.339  0.169  0.546  1.0
  F  F11  1  0.161  0.669  0.954  1.0
  F  F12  1  0.339  0.169  0.954  1.0
  F  F13  1  0.161  0.669  0.546  1.0
  F  F14  1  0.661  0.831  0.454  1.0
  F  F15  1  0.839  0.331  0.046  1.0
  F  F16  1  0.430  0.475  0.250  1.0
  F  F17  1  0.070  0.975  0.250  1.0
  F  F18  1  0.570  0.525  0.750  1.0
  F  F19  1  0.930  0.025  0.750  1.0
[/CIF]
.
The crystal structure described by CdNF3 crystallizes in the orthorhombic Pnma space group. Cd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CdF6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. N(1) is bonded in a bent 150 degrees geometry to two equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd(1) and one N(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Cd(1) atoms. is represented by the CIF card [CIF]
data_CdNF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.119
_cell_length_b   6.384
_cell_length_c   8.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.110
_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  0.500  0.500  0.000  1.0
  Cd  Cd1  1  0.000  0.000  0.500  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.620  0.875  0.250  1.0
  N  N5  1  0.880  0.375  0.250  1.0
  N  N6  1  0.380  0.125  0.750  1.0
  N  N7  1  0.120  0.625  0.750  1.0
  F  F8  1  0.661  0.831  0.046  1.0
  F  F9  1  0.839  0.331  0.454  1.0
  F  F10  1  0.339  0.169  0.546  1.0
  F  F11  1  0.161  0.669  0.954  1.0
  F  F12  1  0.339  0.169  0.954  1.0
  F  F13  1  0.161  0.669  0.546  1.0
  F  F14  1  0.661  0.831  0.454  1.0
  F  F15  1  0.839  0.331  0.046  1.0
  F  F16  1  0.430  0.475  0.250  1.0
  F  F17  1  0.070  0.975  0.250  1.0
  F  F18  1  0.570  0.525  0.750  1.0
  F  F19  1  0.930  0.025  0.750  1.0
[/CIF]
.