data_global
_chemical_name_mineral 'Grandreefite'
loop_
_publ_author_name
'Kampf A R'
_journal_name_full 'American Mineralogist'
_journal_volume 76 
_journal_year 1991
_journal_page_first 278
_journal_page_last 282
_publ_section_title
;
 Grandreefite, Pb2F2SO4: Crystal structure and relationship to the lanthanide
 oxide sulfates, Ln2O2SO4
;
_database_code_amcsd 0001350
_chemical_formula_sum 'Pb2 S F2 O4'
_cell_length_a 8.667
_cell_length_b 4.4419
_cell_length_c 14.242
_cell_angle_alpha 90
_cell_angle_beta 107.418
_cell_angle_gamma 90
_cell_volume 523.147
_exptl_crystal_density_diffrn      6.964
_symmetry_space_group_name_H-M 'A 1 2/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb   0.07850   0.50890   0.15480 ?
S   0.25000   0.05000   0.00000   0.00253
F   0.12700   0.96700   0.24700   0.01267
O1   0.11500   0.25200   0.00300   0.01393
O2   0.29900   0.85800   0.09000   0.01393
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.00831 0.00750 0.00486 0.00447 0.00353 0.00092