data_global
_chemical_name_mineral 'Krohnkite'
loop_
_publ_author_name
'Hawthorne F C'
'Ferguson R B'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 31 
_journal_year 1975
_journal_page_first 1753
_journal_page_last 1755
_publ_section_title
;
 Refinement of the crystal structure of krohnkite
;
_database_code_amcsd 0009535
_chemical_compound_source 'Chuquicamata, Chile'
_chemical_formula_sum 'Na2 Cu S2 O10 H4'
_cell_length_a 5.807
_cell_length_b 12.656
_cell_length_c 5.517
_cell_angle_alpha 90
_cell_angle_beta 108.32
_cell_angle_gamma 90
_cell_volume 384.913
_exptl_crystal_density_diffrn      2.914
_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
_atom_site_U_iso_or_equiv
Na   0.57140   0.12470   0.20990 ?
Cu   0.00000   0.00000   0.00000 ?
S   0.23750   0.11793   0.54450 ?
O1   0.00380   0.17250   0.48740 ?
O2   0.29110   0.05730   0.78440 ?
O3   0.23190   0.04250   0.33220 ?
O4   0.43850   0.19230   0.56170 ?
Ow   0.83150   0.13430   0.95130 ?
H1   0.92700   0.18400   0.99200   0.00633
H2   0.71200   0.14000   0.79200   0.00633
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
Na 0.02120 0.02012 0.02137 -0.00057 0.01258 -0.00091
Cu 0.01145 0.01144 0.00988 0.00000 0.00073 0.00000
S 0.00967 0.00966 0.00720 0.00014 0.00228 -0.00057
O1 0.01338 0.01680 0.01573 0.00523 0.00395 0.00044
O2 0.01544 0.01582 0.01063 0.00170 0.00366 0.00430
O3 0.01315 0.01891 0.01308 0.00163 0.00271 -0.00665
O4 0.01590 0.01534 0.01379 -0.00590 0.00459 0.00017
Ow 0.01279 0.01201 0.01170 -0.00191 0.00230 -0.00030