data_global
_chemical_name_mineral 'Retgersite'
loop_
_publ_author_name
'Angel R J'
'Finger L W'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 44 
_journal_year 1988
_journal_page_first 1869
_journal_page_last 1873
_publ_section_title
;
 Polymorphism of nickel sulfate hexahydrate
;
_database_code_amcsd 0010072
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni S O10 H12'
_cell_length_a 6.780
_cell_length_b 6.780
_cell_length_c 18.2850
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 840.532
_exptl_crystal_density_diffrn      2.077
_symmetry_space_group_name_H-M 'P 41 21 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'y,x,-z'
  '1/2-y,1/2+x,1/4+z'
  '1/2-x,1/2+y,1/4-z'
  '-x,-y,1/2+z'
  '-y,-x,1/2-z'
  '1/2+y,1/2-x,3/4+z'
  '1/2+x,1/2-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni   0.21050   0.21050   0.00000   0.01317
S   0.70930   0.70930   0.00000   0.01596
O4   0.62110   0.62040   0.06590   0.03040
O5   0.92320   0.67330   0.00020   0.02672
O1   0.17270  -0.04750   0.05280   0.02748
O2   0.47050   0.24510   0.05610   0.02140
O3   0.06580   0.35590   0.08510   0.01976
H11   0.11000  -0.13400   0.03900   0.05446
H12   0.23200  -0.06500   0.08800   0.04053
H21   0.54600   0.15800   0.04900   0.03040
H22   0.52500   0.35200   0.06300   0.04179
H31   0.02000   0.44000   0.07200   0.03420
H32  -0.01000   0.28000   0.11500   0.04433