data_global
_chemical_name_mineral 'Rozenite'
loop_
_publ_author_name
'Baur W H'
_journal_name_full 'Acta Crystallographica'
_journal_volume 15 
_journal_year 1962
_journal_page_first 815
_journal_page_last 826
_publ_section_title
;
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
 (leonhardtit) und FeSO4*4H2O (rozenit)
;
_database_code_amcsd 0009276
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe S O8 H8'
_cell_length_a 5.979
_cell_length_b 13.648
_cell_length_c 7.977
_cell_angle_alpha 90
_cell_angle_beta 90.43
_cell_angle_gamma 90
_cell_volume 650.916
_exptl_crystal_density_diffrn      2.285
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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   0.06780   0.10260   0.21830   0.01077
S   0.19790   0.10960   0.82360   0.00887
O1   0.00710   0.04840   0.75540   0.01773
O2   0.25370   0.07680   0.99740   0.01773
O3   0.39500   0.09530   0.71350   0.01773
O4   0.13000   0.21330   0.81880   0.01773
Ow1   0.35850   0.07290   0.35850   0.02153
Ow2   0.76880   0.13910   0.08590   0.02153
Ow3   0.88370   0.12540   0.44210   0.02153
Ow4   0.18260   0.25000   0.21600   0.02153
H1   0.36000   0.07000   0.48500   0.03040
H2   0.44400   0.01700   0.32300   0.03040
H3   0.68200   0.19800   0.09200   0.03040
H4   0.68400   0.09800   0.01700   0.03040
H5   0.76600   0.17100   0.46300   0.03040
H6   0.93500   0.09600   0.54700   0.03040
H7   0.32200   0.24200   0.27500   0.03040
H8   0.62900   0.19000   0.75900   0.03040