data_global
_chemical_name_mineral 'Quenstedtite'
loop_
_publ_author_name
'Thomas J N'
'Robinson P D'
'Fang J H'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 582
_journal_page_last 586
_publ_section_title
;
 Crystal structures and mineral chemistry of hydrated ferric sulfates. IV. The
 crystal structure of quenstedtite
;
_database_code_amcsd 409
_chemical_formula_sum 'Fe2 S3 O23 H22'
_cell_length_a 6.184
_cell_length_b 23.6
_cell_length_c 6.539
_cell_angle_alpha 94.18
_cell_angle_beta 101.73
_cell_angle_gamma 96.27
_cell_volume 924.355
_exptl_crystal_density_diffrn  2.149
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
Fe1   0.1411  0.1146  0.3365  0.03863
Fe2   0.4684  0.6182  0.2434  0.03863
S1   0.2633  0.2813  0.9573  0.01773
S2   0.1281  0.5732  0.7901  0.01646
S3   0.4462  0.0771  0.7623  0.01773
O1   0.084  0.3136  0.972  0.02913
O2   0.408  0.2843  0.164  0.03293
O3   0.186  0.221  0.871  0.03166
O4   0.393  0.3072  0.81  0.02786
O5   0.229  0.5288  0.701  0.0342
O6   0.059  0.6112  0.637  0.0304
O7   0.051  0.4498  0.119  0.02533
O8   0.301  0.6071  0.96  0.03673
O9   0.334  0.0316  0.852  0.03546
O10   0.439  0.879  0.072  0.03166
O11   0.4  0.9444  0.356  0.03166
O12   0.274  0.1022  0.62  0.0342
Wat1   0.052  0.186  0.453  0.0304
Wat2   0.431  0.1533  0.292  0.03673
Wat3   0.01  0.1325  0.045  0.02533
Wat4   0.2  0.039  0.21  0.02913
Wat5   0.16  0.9277  0.653  0.02786
Wat6   0.283  0.4228  0.817  0.0304
Wat7   0.232  0.6591  0.343  0.0228
Wat8   0.372  0.3699  0.449  0.02786
Wat9   0.333  0.5419  0.322  0.0342
Wat10   0.366  0.7854  0.37  0.04939
Wat11   0.179  0.7506  0.794  0.04559