data_global
_chemical_name_mineral 'Salesite'
loop_
_publ_author_name
'Ghose S'
'Wan C'
_journal_name_full 'American Mineralogist'
_journal_volume 63 
_journal_year 1978
_journal_page_first 172
_journal_page_last 179
_publ_section_title
;
 Salesite, CuIO3(OH), and Cu(IO3)2*2H2O: A comparison of the crystal
 structures and their magnetic behavior
;
_database_code_amcsd 0000612
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu I O4 H'
_cell_length_a 10.784
_cell_length_b 6.708
_cell_length_c 4.781
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 345.853
_exptl_crystal_density_diffrn      4.906
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+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
Cu   0.00000   0.00000   0.00000   0.01343
I   0.24486   0.25000  -0.00005   0.01001
O1   0.38660   0.25000   0.19470   0.01950
O2   0.16240   0.04820   0.18290   0.01456
O-h   0.02950   0.25000  -0.19670   0.01241
H   0.02600   0.25000  -0.39400   0.07599
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
Cu 0.01237 0.01185 0.01644 -0.00293 -0.00313 0.00325
I 0.00884 0.00912 0.01181 0.00000 -0.00026 0.00000
O1 0.01237 0.02416 0.02165 0.00000 -0.00496 0.00000
O2 0.01414 0.01231 0.01737 -0.00293 -0.00366 0.00487
O-h 0.01414 0.00957 0.01378 0.00000 0.00052 0.00000