data_global
_amcsd_formula_title 'MgS2O3(H2O)6'
loop_
_publ_author_name
'Elerman Y'
'Fuess H'
'Joswig W'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 1799
_journal_page_last 1801
_publ_section_title
;
 Hydrogen bonding in magnesium thiosulphate hexahydrate MgS2O3(H2O)6.
 A neutron diffraction study
;
_database_code_amcsd 0018248
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg S2 O9 H12'
_cell_length_a 9.405
_cell_length_b 14.449
_cell_length_c 6.866
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 933.040
_exptl_crystal_density_diffrn      1.741
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg   0.00000   0.00000   0.00000
S1   0.04240   0.25000   0.44000
S2   0.21740   0.25000   0.60820
O1  -0.04160   0.16620   0.47760
O2   0.09080   0.25000   0.23840
O3  -0.15350   0.08160   0.14880
O4   0.12630   0.11480  -0.03090
O5  -0.09750   0.02720  -0.26120
H1   0.87970   0.10880   0.26500
H2   0.80960   0.13150   0.06790
H3   0.12000   0.16180   0.06710
H4   0.15330   0.14530   0.85660
H5   0.92140   0.07710   0.65420
H6   0.82060   0.99380   0.69480