data_global
_chemical_name_mineral 'Goldichite'
loop_
_publ_author_name
'Graeber E J'
'Rosenzweig A'
_journal_name_full 'American Mineralogist'
_journal_volume 56
_journal_year 1971
_journal_page_first 1917
_journal_page_last 1933
_publ_section_title
;
 The crystal structures of yavapaiite, KFe(SO4)2, and goldichite, KFe(SO4)2.4H2O
;
_database_code_amcsd 264
_chemical_formula_sum 'Fe K S2 O12 H8'
_cell_length_a 10.387
_cell_length_b 10.486
_cell_length_c 9.086
_cell_angle_alpha 90.0
_cell_angle_beta 101.68
_cell_angle_gamma 90.0
_cell_volume 969.138
_exptl_crystal_density_diffrn  2.461
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Fe   0.7065  0.1346  0.0935
K   0.6777  0.7435  0.0351
S1   0.5253  0.4807  0.2831
S2   0.8898  0.303  0.3557
O1   0.9208  0.4235  0.2907
O2   0.8639  0.1735  0.0084
Wat3   0.8135  -0.0152  0.1957
O4   0.591  0.5058  0.1598
O5   0.6259  0.0214  -0.0728
Wat6   0.8376  0.5325  -0.0109
O7   0.5621  0.0938  0.2048
O8   0.45  0.3639  0.2648
Wat9   0.821  0.6785  0.3321
Wat10   0.6066  0.291  -0.0027
O11   0.9943  0.2114  0.3649
O12   0.7644  0.2508  0.2651
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
Fe   0.01127  0.01165  0.01064  -0.00063  -0.00013  -0.00026
K   0.02736  0.02533  0.03039  -0.00152  0.01127  0.10132
S1   0.00861  0.00937  0.00861  -0.00165  0.00013  -0.00038
S2   0.00785  0.01241  0.01115  0.00051  0.00025  0.00127
O1   0.0252  0.02444  0.03382  0.00545  0.00545  -0.00621
O2   0.01241  0.03749  0.01533  0.00051  0.00063  0.00494
Wat3   0.01697  0.0171  0.01989  0.00405  0.00291  0.00329
O4   0.0209  0.01912  0.01659  -0.00291  0.00431  -0.00266
O5   0.02026  0.01887  0.01203  -0.00076  -0.00165  -0.00317
Wat6   0.03344  0.03166  0.02432  0.00354  0.00139  0.00443
O7   0.01659  0.01406  0.01912  -0.00532  0.00646  -0.00291
O8   0.01912  0.01735  0.02318  0.00418  0.00088  -0.00013
Wat9   0.03217  0.02837  0.03952  -0.00063  0.01051  0.00481
Wat10   0.0214  0.01532  0.01533  -0.0038  0.00203  -0.0038
O11   0.01849  0.03306  0.03103  0.01089  0.00038  -0.00519
O12   0.01494  0.02077  0.01697  0.00532  0.0005  0.00836