data_9007608
_chemical_name '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
 Locality: 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
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_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