data_global
_chemical_name_mineral 'Berthierite'
loop_
_publ_author_name
'Buerger M J'
'Hahn T'
_journal_name_full 'American Mineralogist'
_journal_volume 40
_journal_year 1955
_journal_page_first 226
_journal_page_last 238
_publ_section_title
;
 The crystal structure of berthierite, FeSb2S4
;
_database_code_amcsd 69
_chemical_formula_sum 'Sb2 Fe S4'
_cell_length_a 11.44
_cell_length_b 14.12
_cell_length_c 3.76
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 607.363
_exptl_crystal_density_diffrn  4.676
_symmetry_space_group_name_H-M 'P n a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Sb1   0.145  0.062  0.25
Sb2   0.037  0.386  0.75
Fe   0.316  0.334  0.25
S1   0.195  0.272  0.75
S2   0.424  0.184  0.25
S3   0.226  0.492  0.25
S4   0.451  0.405  0.75