data_global
_chemical_name_mineral 'Kaliochalcite'
loop_
_publ_author_name
'Giester G'
'Zemann J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 179 
_journal_year 1987
_journal_page_first 431
_journal_page_last 442
_publ_section_title
;
 The crystal structure of the natrochalcite-type compounds (Me+)Cu2(OH)(zO4)2*H2O
 [Me+ = Na,K,Rb; z = S,Se], with special reference to the hydrogen bonds
;
_database_code_amcsd 0010973
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'K Cu2 S2 O10 H4'
_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      3.449
_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
K   0.00000   0.50000   0.50000   1.00000
Cu   0.25000   0.25000   0.00000   1.00000
S   0.08019   0.00000   0.28786   1.00000
O1   0.18620   0.00000   0.18510   1.00000
O2   0.18470   0.00000   0.50000   1.00000
O3  -0.02830   0.19460   0.22760   1.00000
Wat4   0.15600   0.50000   0.07460   0.50000
O-H4   0.15600   0.50000   0.07460   0.50000
H   0.18400   0.50000   0.19400   0.50000
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
K 0.00960 0.02030 0.01060 0.00000 0.00290 0.00000
Cu 0.00570 0.00720 0.01100 0.00030 0.00270 -0.00100
S 0.00530 0.00790 0.00690 0.00000 0.00240 0.00000
O1 0.00990 0.01370 0.01240 0.00000 0.00740 0.00000
O2 0.01060 0.02160 0.00680 0.00000 0.00160 0.00000
O3 0.00800 0.00860 0.01330 0.00160 0.00250 -0.00080
Wat4 0.00710 0.00900 0.01070 0.00000 0.00420 0.00000
O-H4 0.00710 0.00900 0.01070 0.00000 0.00420 0.00000