data_global
_chemical_name_mineral 'Mikasaite'
loop_
_publ_author_name
'Masse R'
'Guitel J C'
'Perret R'
_journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_volume 96 
_journal_year 1973
_journal_page_first 346
_journal_page_last 349
_publ_section_title
;
 Structure crystalline de la variete rhomboedrique du sulfate ferrique Fe2(SO4)3
;
_database_code_amcsd 0021007
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe2 S3 O12'
_cell_length_a 8.229
_cell_length_b 8.229
_cell_length_c 22.177
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1300.552
_exptl_crystal_density_diffrn      3.063
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe1   0.00000   0.00000   0.14928   0.00646
Fe2   0.00000   0.00000   0.35584   0.00646
S   0.29042   0.28819   0.75069   0.00380
O1   0.25310   0.43960   0.76581   0.01077
O2   0.22410   0.14580   0.79862   0.01305
O3   0.19450   0.20460   0.69391   0.01267
O4   0.49190   0.36350   0.74351   0.00899
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
Fe1 0.00638 0.00638 0.00668 0.00319 0.00000 0.00000
Fe2 0.00643 0.00643 0.00591 0.00322 0.00000 0.00000
S 0.00306 0.00347 0.00448 0.00121 0.00056 -0.00096
O1 0.01106 0.00875 0.01545 0.00746 -0.00328 -0.00633
O2 0.01158 0.01312 0.01420 0.00617 0.00713 0.00857
O3 0.01184 0.01286 0.00997 0.00360 -0.00520 -0.00713
O4 0.00437 0.01055 0.01046 0.00257 0.00224 -0.00136