The material structure described by PdF2 crystallizes in the trigonal R-3 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to six equivalent F(2) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Pd site, Pd(2) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Pd(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Pd(1) and two equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_PdF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   5.331
_cell_angle_alpha   89.894
_cell_angle_beta   90.106
_cell_angle_gamma   89.894
_symmetry_Int_Tables_number   1
_cell_volume   151.532
_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
  Pd  Pd0  1  0.000  0.500  0.500  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.343  0.157  0.843  1.0
  F  F5  1  0.156  0.841  0.344  1.0
  F  F6  1  0.844  0.344  0.159  1.0
  F  F7  1  0.659  0.656  0.656  1.0
  F  F8  1  0.341  0.344  0.344  1.0
  F  F9  1  0.156  0.656  0.841  1.0
  F  F10  1  0.844  0.159  0.656  1.0
  F  F11  1  0.657  0.843  0.157  1.0
[/CIF]
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The material structure described by PdF2 crystallizes in the trigonal R-3 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to six equivalent F(2) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 60°. In the second Pd site, Pd(2) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Pd(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Pd(1) and two equivalent Pd(2) atoms. is represented by the CIF card [CIF]
data_PdF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.331
_cell_length_b   5.331
_cell_length_c   5.331
_cell_angle_alpha   89.894
_cell_angle_beta   90.106
_cell_angle_gamma   89.894
_symmetry_Int_Tables_number   1
_cell_volume   151.532
_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
  Pd  Pd0  1  0.000  0.500  0.500  1.0
  Pd  Pd1  1  0.500  0.500  0.000  1.0
  Pd  Pd2  1  0.500  0.000  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.343  0.157  0.843  1.0
  F  F5  1  0.156  0.841  0.344  1.0
  F  F6  1  0.844  0.344  0.159  1.0
  F  F7  1  0.659  0.656  0.656  1.0
  F  F8  1  0.341  0.344  0.344  1.0
  F  F9  1  0.156  0.656  0.841  1.0
  F  F10  1  0.844  0.159  0.656  1.0
  F  F11  1  0.657  0.843  0.157  1.0
[/CIF]
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