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 0000264
_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
_cell_angle_beta 101.68
_cell_angle_gamma 90
_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   0.70650   0.13460   0.09350
K   0.67770   0.74350   0.03510
S1   0.52530   0.48070   0.28310
S2   0.88980   0.30300   0.35570
O1   0.92080   0.42350   0.29070
O2   0.86390   0.17350   0.00840
Wat3   0.81350  -0.01520   0.19570
O4   0.59100   0.50580   0.15980
O5   0.62590   0.02140  -0.07280
Wat6   0.83760   0.53250  -0.01090
O7   0.56210   0.09380   0.20480
O8   0.45000   0.36390   0.26480
Wat9   0.82100   0.67850   0.33210
Wat10   0.60660   0.29100  -0.00270
O11   0.99430   0.21140   0.36490
O12   0.76440   0.25080   0.26510
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 0.02520 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 0.01710 0.01989 0.00405 0.00291 0.00329
O4 0.02090 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 0.02140 0.01532 0.01533 -0.00380 0.00203 -0.00380
O11 0.01849 0.03306 0.03103 0.01089 0.00038 -0.00519
O12 0.01494 0.02077 0.01697 0.00532 0.00050 0.00836