data_1008246
_chemical_name_systematic          'PALLADIUM FLUORIDE'
_chemical_formula_structural       'PD F2'
_chemical_formula_sum              'F2 Pd'
_publ_section_title
;
On a new structural type of fluorine compounds: crystal and magnetic
structures of a high pressure form of Pd F~2~
;
loop_
_publ_author_name
  'Tressaud, A'
  'Soubeyroux, J L'
  'Touhara, H'
  'Demazeau, G'
  'Langlais, F'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    16
_journal_year                      1981
_journal_page_first                207
_journal_page_last                 214
_cell_length_a                     5.329(1)
_cell_length_b                     5.329(1)
_cell_length_c                     5.329(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       151.3
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 21 3'
_symmetry_Int_Tables_number        198
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  '1/2+x,1/2-y,-z'
  '1/2+y,1/2-z,-x'
  '1/2+z,1/2-x,-y'
  '-x,1/2+y,1/2-z'
  '-y,1/2+z,1/2-x'
  '-z,1/2+x,1/2-y'
  '1/2-x,-y,1/2+z'
  '1/2-y,-z,1/2+x'
  '1/2-z,-x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pd2+   2.000
  F1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pd1   Pd2+   4 a 0. 0. 0. 1.  0 d
  F1    F1-    4 a 0.344(3) 0.344(3) 0.344(3) 1.  0 d
  F2    F1-    4 a 0.658(3) 0.658(3) 0.658(3) 1.  0 d
_refine_ls_R_factor_all            0.055