data_global
_chemical_name_mineral 'Butlerite'
loop_
_publ_author_name
'Fanfani L'
'Nunzi A'
'Zanazzi P F'
_journal_name_full 'American Mineralogist'
_journal_volume 56
_journal_year 1971
_journal_page_first 751
_journal_page_last 757
_publ_section_title
;
 The crystal structure of butlerite
;
_database_code_amcsd 232
_chemical_formula_sum 'Fe S O7 H3'
_cell_length_a 6.5
_cell_length_b 7.37
_cell_length_c 5.84
_cell_angle_alpha 90.0
_cell_angle_beta 108.38
_cell_angle_gamma 90.0
_cell_volume 265.493
_exptl_crystal_density_diffrn  2.539
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.0  0.0  0.0  0.01203
S   0.3809  0.25  0.353  0.01418
O1   0.2476  0.0885  0.2697  0.02064
O2   0.4559  0.25  0.6098  0.02166
O3   0.5587  0.25  0.263  0.04471
O-H4   0.1023  0.75  0.0886  0.01912
O-H5   0.1844  0.0133  0.7647  0.03736