data_global
_amcsd_formula_title 'F2.3 Pb0.85 Th0.15'
loop_
_publ_author_name
'Soubeyroux J'
'Reau J'
'Matar S'
'Hagenmueller P'
'Lucat C'
_journal_name_full 'Solid State Ionics'
_journal_volume 2 
_journal_year 1981
_journal_page_first 215
_journal_page_last 229
_publ_section_title
;
 Etude par diffraction de neutrons de la solution solide Pb1-x Thx F2+2x
 _cod_database_code 1008614
;
_database_code_amcsd 0016505
_chemical_formula_sum '(Pb.85 Th.15) F2.28'
_cell_length_a 5.9581
_cell_length_b 5.9581
_cell_length_c 5.9581
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 211.506
_exptl_crystal_density_diffrn      7.984
_symmetry_space_group_name_H-M 'F m 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'z,-x,y'
  'z,1/2-x,1/2+y'
  '1/2+z,-x,1/2+y'
  '1/2+z,1/2-x,y'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  'y,-z,x'
  'y,1/2-z,1/2+x'
  '1/2+y,-z,1/2+x'
  '1/2+y,1/2-z,x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-z,-y'
  'x,1/2-z,1/2-y'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '-z,y,x'
  '-z,1/2+y,1/2+x'
  '1/2-z,y,1/2+x'
  '1/2-z,1/2+y,x'
  'y,-x,-z'
  'y,1/2-x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '-x,z,y'
  '-x,1/2+z,1/2+y'
  '1/2-x,z,1/2+y'
  '1/2-x,1/2+z,y'
  'z,-y,-x'
  'z,1/2-y,1/2-x'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '-y,x,z'
  '-y,1/2+x,1/2+z'
  '1/2-y,x,1/2+z'
  '1/2-y,1/2+x,z'
  'x,z,y'
  'x,1/2+z,1/2+y'
  '1/2+x,z,1/2+y'
  '1/2+x,1/2+z,y'
  '-z,-y,-x'
  '-z,1/2-y,1/2-x'
  '1/2-z,-y,1/2-x'
  '1/2-z,1/2-y,-x'
  'y,x,z'
  'y,1/2+x,1/2+z'
  '1/2+y,x,1/2+z'
  '1/2+y,1/2+x,z'
  '-x,-z,-y'
  '-x,1/2-z,1/2-y'
  '1/2-x,-z,1/2-y'
  '1/2-x,1/2-z,-y'
  'z,y,x'
  'z,1/2+y,1/2+x'
  '1/2+z,y,1/2+x'
  '1/2+z,1/2+y,x'
  '-y,-x,-z'
  '-y,1/2-x,1/2-z'
  '1/2-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  'z,x,-y'
  'z,1/2+x,1/2-y'
  '1/2+z,x,1/2-y'
  '1/2+z,1/2+x,-y'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  'y,z,-x'
  'y,1/2+z,1/2-x'
  '1/2+y,z,1/2-x'
  '1/2+y,1/2+z,-x'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-z,x,y'
  '-z,1/2+x,1/2+y'
  '1/2-z,x,1/2+y'
  '1/2-z,1/2+x,y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '-x,y,z'
  '-x,1/2+y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '-y,z,x'
  '-y,1/2+z,1/2+x'
  '1/2-y,z,1/2+x'
  '1/2-y,1/2+z,x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,z,-y'
  '-x,1/2+z,1/2-y'
  '1/2-x,z,1/2-y'
  '1/2-x,1/2+z,-y'
  'z,-y,x'
  'z,1/2-y,1/2+x'
  '1/2+z,-y,1/2+x'
  '1/2+z,1/2-y,x'
  '-y,x,-z'
  '-y,1/2+x,1/2-z'
  '1/2-y,x,1/2-z'
  '1/2-y,1/2+x,-z'
  'x,-z,y'
  'x,1/2-z,1/2+y'
  '1/2+x,-z,1/2+y'
  '1/2+x,1/2-z,y'
  '-z,y,-x'
  '-z,1/2+y,1/2-x'
  '1/2-z,y,1/2-x'
  '1/2-z,1/2+y,-x'
  'y,-x,z'
  'y,1/2-x,1/2+z'
  '1/2+y,-x,1/2+z'
  '1/2+y,1/2-x,z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  'z,y,-x'
  'z,1/2+y,1/2-x'
  '1/2+z,y,1/2-x'
  '1/2+z,1/2+y,-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  'x,z,-y'
  'x,1/2+z,1/2-y'
  '1/2+x,z,1/2-y'
  '1/2+x,1/2+z,-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  'y,x,-z'
  'y,1/2+x,1/2-z'
  '1/2+y,x,1/2-z'
  '1/2+y,1/2+x,-z'
  '-z,-x,-y'
  '-z,1/2-x,1/2-y'
  '1/2-z,-x,1/2-y'
  '1/2-z,1/2-x,-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-y,-z,-x'
  '-y,1/2-z,1/2-x'
  '1/2-y,-z,1/2-x'
  '1/2-y,1/2-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1   0.00000   0.00000   0.00000   0.85000
Th1   0.00000   0.00000   0.00000   0.15000
F1   0.25000   0.25000   0.25000   0.73000
F2   0.50000   0.40800   0.40800   0.01500
F3   0.39900   0.39900   0.39900   0.03000
F4   0.30300   0.30300   0.30300   0.05000