data_global
_chemical_name_mineral 'Dwornikite'
loop_
_publ_author_name
'Wildner M'
'Giester G'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1991 
_journal_year 1991
_journal_page_first 296
_journal_page_last 306
_publ_section_title
;
 The crystal structures of kieserite-type compounds.
 I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
;
_database_code_amcsd 0014854
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni S O5 H2'
_cell_length_a 6.824
_cell_length_b 7.594
_cell_length_c 7.457
_cell_angle_alpha 90
_cell_angle_beta 117.79
_cell_angle_gamma 90
_cell_volume 341.862
_exptl_crystal_density_diffrn      3.357
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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_U_iso_or_equiv
Ni   0.00000   0.50000   0.00000 ?
S   0.00000   0.15667   0.25000 ?
O1   0.17240   0.04690   0.40310 ?
O2   0.10320   0.26970   0.15480 ?
O3   0.00000   0.63160   0.25000 ?
H   0.09400   0.70600   0.28300   0.03760
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
Ni 0.01190 0.01080 0.01090 -0.00010 0.00530 0.00040
S 0.01070 0.00990 0.01120 0.00000 0.00510 0.00000
O1 0.01250 0.01850 0.01740 0.00390 0.00600 0.00660
O2 0.01560 0.01320 0.01770 0.00120 0.00970 0.00370
O3 0.01350 0.01290 0.01280 0.00000 0.00580 0.00000