data_9008428
_chemical_name 'Natrochalcite'
loop_
_publ_author_name
'Chevrier G'
'Giester G'
'Zemann J'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 206
_journal_year 1993
_journal_page_first 7
_journal_page_last 14
_publ_section_title
;
 Neutron refinements of NaCu2(H3O2)(SO4)2 and RbCu2(H3O2)(SeO4)2:
 Variation of the hydrogen bond system in the natrochalcite-type series
 Locality: synthetic
;
_chemical_formula_sum 'Na Cu2 S2 O10 H3'
_cell_length_a 8.809
_cell_length_b 6.187
_cell_length_c 7.509
_cell_angle_alpha 90
_cell_angle_beta 118.74
_cell_angle_gamma 90
_cell_volume 358.835
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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
Na   0.00000   0.50000   0.50000   1.00000
Cu   0.25000   0.25000   0.00000   1.00000
S   0.09090   0.00000   0.30130   1.00000
O1   0.19310   0.00000   0.19190   1.00000
O2   0.20910   0.00000   0.51770   1.00000
O3  -0.02010   0.19670   0.24400   1.00000
O-h   0.15760   0.50000   0.07540   1.00000
H1   0.01690   0.50000   0.00690   0.50000
H2   0.20700   0.50000   0.22390   1.00000