data_1100069
_chemical_name_systematic          'Magnesium dithionate hexahydrate'
_chemical_formula_structural       'Mg S2 O6 (H2 O)6'
_chemical_formula_sum              'H12 Mg O12 S2'
_publ_section_title                ' M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn)'
loop_
_publ_author_name
  'Black, W H'
  'Griffith, E A H'
  'Robertson, B E'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_volume                    31
_journal_year                      1975
_journal_page_first                615
_journal_page_last                 617
_cell_length_a                     6.819(2)
_cell_length_b                     6.747(2)
_cell_length_c                     6.506(2)
_cell_angle_alpha                  94.23(2)
_cell_angle_beta                   96.76(2)
_cell_angle_gamma                  101.72(2)
_cell_volume                       289.6
_cell_formula_units_Z              1
_exptl_crystal_density_meas        1.8(10)
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  S5+    5.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mg1   Mg2+   1 a 0. 0. 0. 1.  0 d
  S1    S5+    2 i 0.3597(2) 0.5450(2) 0.5014(2) 1.  0 d
  O1    O2-    2 i 0.1285(6) 0.2919(5) -0.0435(6) 1.  0 d
  O2    O2-    2 i -0.0702(6) 0.0970(5) 0.2832(5) 1.  0 d
  O3    O2-    2 i 0.2739(5) -0.0365(6) 0.1429(6) 1.  0 d
  O4    O2-    2 i 0.2263(5) 0.3693(5) 0.5610(5) 1.  0 d
  O5    O2-    2 i 0.4029(5) 0.7213(5) 0.6537(6) 1.  0 d
  O6    O2-    2 i 0.3055(5) 0.5888(5) 0.2903(5) 1.  0 d
  H1    H1+    2 i 0.174(10) 0.372(11) 0.040(11) 1.  0 d
  H2    H1+    2 i 0.167(8) 0.320(8) -0.141(9) 1.  0 d
  H3    H1+    2 i -0.159(10) 0.138(10) 0.29(1) 1.  0 d
  H4    H1+    2 i 0.005(10) 0.149(10) 0.358(11) 1.  0 d
  H5    H1+    2 i 0.293(10) -0.121(10) 0.181(10) 1.  0 d
  H6    H1+    2 i 0.353(10) 0.048(10) 0.19(1) 1.  0 d