data_9004751
_chemical_name 'Siderotil'
loop_
_publ_author_name
'Peterson R C'
'Roeder P L'
'Zhang Y'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 41
_journal_year 2003
_journal_page_first 671
_journal_page_last 676
_publ_section_title
;
 The atomic structure of siderotil, (Fe,Cu)SO4.5H2O
;
_chemical_formula_sum 'Cu.54 Fe1.35 Zn.05 Mg.06 S2 O18 H20'
_cell_length_a 6.292
_cell_length_b 10.632
_cell_length_c 6.072
_cell_angle_alpha 82.63
_cell_angle_beta 110.02
_cell_angle_gamma 105.19
_cell_volume 367.983
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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_occupancy
_atom_site_Uiso_or_equiv
CuM1   0.00000   0.00000   0.00000   0.54000   0.02700
FeM1   0.00000   0.00000   0.00000   0.35000   0.02700
ZnM1   0.00000   0.00000   0.00000   0.05000   0.02700
MgM1   0.00000   0.00000   0.00000   0.06000   0.02700
FeM2   0.50000   0.50000   0.00000   0.76000   0.02140
FeM2   0.50000   0.50000   0.00000   0.11000   0.02140
FeM2   0.50000   0.50000   0.00000   0.13000   0.02140
S   0.03010   0.28860   0.65190   1.00000   0.02040
O1   0.92560   0.15190   0.70500   1.00000   0.03230
O2   0.26280   0.32690   0.82900   1.00000   0.03000
O3   0.88380   0.37480   0.65540   1.00000   0.02950
O4   0.05810   0.29880   0.41770   1.00000   0.03030
Wat5   0.82830   0.07500   0.15850   1.00000   0.03490
Wat6   0.30970   0.11730   0.18070   1.00000   0.03270
Wat7   0.47650   0.40400   0.31710   1.00000   0.03160
Wat8   0.76030   0.40610   0.02770   1.00000   0.03280
Wat9   0.44760   0.13020   0.66310   1.00000   0.03730