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 0018249
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg S2 O9 H12'
_cell_length_a 9.304
_cell_length_b 14.447
_cell_length_c 6.847
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 920.339
_exptl_crystal_density_diffrn      1.765
_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
Mg1   0.00000   0.00000   0.00000
S1   0.04000   0.25000   0.43800
S2   0.21780   0.25000   0.61410
O1  -0.04310   0.16600   0.47730
O2   0.09140   0.25000   0.23480
O3  -0.15460   0.08150   0.14770
O4   0.12770   0.11370  -0.03120
O5  -0.09820   0.02610  -0.25980
H1   0.87940   0.11110   0.26930
H2   0.81020   0.13240   0.06560
H3   0.11950   0.16180   0.06960
H4   0.15340   0.14650   0.85200
H5   0.92010   0.07780   0.65060
H6   0.81670   0.99360   0.69820