data_global
_chemical_name_mineral 'Kaliochalcite'
loop_
_publ_author_name
'Chevrier G'
'Giester G'
'Jarosch D'
'Zemann J'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 175
_journal_page_last 177
_publ_section_title
;
 Neutron diffraction study of the hydrogen-bond system
 in Cu2K(H3O2)(SO4)2
;
_database_code_amcsd 0010091
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Cu2 S2 O10 H3'
_cell_length_a 8.955
_cell_length_b 6.265
_cell_length_c 7.628
_cell_angle_alpha 90
_cell_angle_beta 117.45
_cell_angle_gamma 90
_cell_volume 379.772
_exptl_crystal_density_diffrn      3.440
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
K   0.00000   0.50000   0.50000   1.00000   0.01431
Cu   0.25000   0.25000   0.00000   1.00000   0.00798
S   0.08005   0.00000   0.28776   1.00000   0.00659
O1   0.18600   0.00000   0.18542   1.00000   0.01077
O2   0.18462   0.00000   0.49968   1.00000   0.01393
O3  -0.02809   0.19442   0.22737   1.00000   0.01064
O-h   0.15621   0.50000   0.07523   1.00000   0.00861
H1   0.01876   0.50000   0.01207   0.50000   0.02064
H2   0.20284   0.50000   0.21942   1.00000   0.02444