data_global
_amcsd_formula_title 'NaCo2S2O10H3'
loop_
_publ_author_name
'Krickl R'
'Wildner M'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 19 
_journal_year 2007
_journal_page_first 805
_journal_page_last 816
_publ_section_title
;
 Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the
 shortest known hydrogen bonds among mineral-type compounds
 Part I: single-crystal X-ray structures
 Sample: T = 105 K
;
_database_code_amcsd 0007247
_chemical_formula_sum 'Na Co2 S2 O10 H3'
_cell_length_a 8.659
_cell_length_b 6.281
_cell_length_c 7.368
_cell_angle_alpha 90
_cell_angle_beta 115.41
_cell_angle_gamma 90
_cell_volume 361.959
_exptl_crystal_density_diffrn      3.377
_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
Na   0.00000   0.50000   0.50000   1.00000   0.01220
Co   0.25000   0.25000   0.00000   1.00000   0.00370
S   0.09484   0.00000   0.29532   1.00000   0.00330
O1   0.19166   0.00000   0.16573   1.00000   0.00560
O2   0.22052   0.00000   0.50346   1.00000   0.00650
O3  -0.01342   0.19401   0.24832   1.00000   0.00540
O-h   0.15438   0.50000   0.08750   1.00000   0.00470
H1   0.05400   0.50000   0.03000   0.50000   0.02000
H2   0.18200   0.50000   0.19700   1.00000   0.04200
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 0.00680 0.01890 0.01050 0.00000 0.00330 0.00000
Co 0.00350 0.00300 0.00440 0.00020 0.00160 -0.00010
S 0.00290 0.00340 0.00330 0.00000 0.00100 0.00000
O1 0.00690 0.00520 0.00690 0.00000 0.00520 0.00000
O2 0.00540 0.00810 0.00380 0.00000 -0.00030 0.00000
O3 0.00440 0.00420 0.00650 0.00130 0.00140 0.00020
O-h 0.00430 0.00490 0.00500 0.00000 0.00200 0.00000