data_9009369
_chemical_name 'Szmikite'
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)
 Locality: synthetic
;
_chemical_formula_sum 'Mn S O5 H2'
_cell_length_a 7.116
_cell_length_b 7.667
_cell_length_c 7.920
_cell_angle_alpha 90
_cell_angle_beta 118.11
_cell_angle_gamma 90
_cell_volume 381.134
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Mn   0.00000   0.50000   0.00000 ?
S   0.00000   0.14983   0.25000 ?
O1   0.16790   0.03980   0.39260 ?
O2   0.09440   0.26150   0.15740 ?
O3   0.00000   0.64850   0.25000 ?
H   0.09700   0.73300   0.27900   0.05580