data_1100098
_chemical_name_systematic          'Magnesium bis(sulfate(VI)) dihydroxide'
_chemical_name_mineral             'Caminite'
loop_
_publ_author_name
  'Yamnova, N A'
  'Pushcharovskii, D Y'
  'Apollonov, V N'
_journal_name_full                 'Vestnik Moskovskogo Universiteta, Geologiya'
_journal_volume                    5
_journal_year                      1989
_journal_page_first                73
_journal_page_last                 75
_cell_length_a                     5.254(2)
_cell_length_b                     5.254(2)
_cell_length_c                     12.971(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       358.1
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.8
_symmetry_space_group_name_H-M     'I 41/a m d Z'
_symmetry_Int_Tables_number        141
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '1/4+y,1/4+x,3/4+z'
  '1/4+y,1/4-x,3/4+z'
  '-x,y,z'
  '-x,1/2-y,z'
  '3/4-y,1/4+x,3/4+z'
  '3/4-y,1/4-x,3/4+z'
  '-x,-y,-z'
  '-x,1/2+y,-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,3/4+x,1/4-z'
  'x,-y,-z'
  'x,1/2+y,-z'
  '1/4+y,3/4-x,1/4-z'
  '1/4+y,3/4+x,1/4-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+x,-y,1/2+z'
  '3/4+y,3/4+x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/4-y,3/4+x,1/4+z'
  '1/4-y,3/4-x,1/4+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/4-y,1/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '3/4+y,1/4-x,3/4-z'
  '3/4+y,1/4+x,3/4-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  S6+    6.000
  Mg2+   2.000
  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
  S1    S6+    4 a 0. 0.75 0.125 1.  0 d
  Mg1   Mg2+   8 d 0. 0. 0.5 0.75  0 d
  O1    O2-   16 h 0. 0.5200(5) 0.1888(2) 1.  0 d
  O2    O2-    4 b 0. 0.25 0.375 1.  1 d
  H1    H1+   16 h 0. 0.475 0.388 0.25  0 d
_refine_ls_R_factor_all            0.12