data_global
_chemical_name_mineral 'Yavapaiite'
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 263
_chemical_formula_sum 'Fe K S2 O8'
_cell_length_a 8.152
_cell_length_b 5.153
_cell_length_c 7.877
_cell_angle_alpha 90.0
_cell_angle_beta 94.9
_cell_angle_gamma 90.0
_cell_volume 329.682
_exptl_crystal_density_diffrn  2.892
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.0  0.0  0.0
K   0.0  0.0  0.5
S   0.3701  0.0  0.202
O1   0.2371  0.0  0.0626
O2   0.3128  0.0  0.3702
O3   0.4741  0.2325  0.1807
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   0.00912  0.00456  0.01165  0.0  -0.00089  0.0
K   0.02824  0.02254  0.0133  0.0  0.00367  0.0
S   0.00849  0.00393  0.00887  0.0  0.00127  0.0
O1   0.0095  0.01368  0.01799  0.0  -0.00241  0.0
O2   0.02457  0.029  0.01317  0.0  0.00874  0.0
O3   0.01912  0.00886  0.01836  -0.00697  -0.00519  0.00545