#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100097.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100097
_chemical_name_systematic          'Magnesium sulfate(VI) tetrahydrate'
_chemical_name_mineral             'Starkeyite'
loop_
_publ_author_name                  'Baur, W H'
_journal_name_full                 'Acta Crystallographica (1,1948-23,1967)'
_journal_volume                    15
_journal_year                      1962
_journal_page_first                815
_journal_page_last                 826
_cell_length_a                     5.922(6)
_cell_length_b                     13.604(4)
_cell_length_c                     7.905(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90.85(17)
_cell_angle_gamma                  90
_cell_volume                       636.8
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.01
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mg2+   2.000
  S6+    6.000
  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+   4 e 0.0694(6) 0.1028(3) 0.2213(4) 1.  0 d
  S1    S6+    4 e 0.1957(3) 0.1068(1) 0.8259(2) 1.  0 d
  O1    O2-    4 e 0.0058(8) 0.0461(4) 0.7595(6) 1.  0 d
  O2    O2-    4 e 0.2485(8) 0.0772(4) 0.0024(6) 1.  0 d
  O3    O2-    4 e 0.3983(8) 0.0911(4) 0.7227(6) 1.  0 d
  O4    O2-    4 e 0.1290(8) 0.2112(4) 0.8145(6) 1.  0 d
  O5    O2-    4 e 0.3555(11) 0.0748(5) 0.3591(8) 1.  0 d
  O6    O2-    4 e 0.7718(11) 0.1394(5) 0.0910(8) 1.  0 d
  O7    O2-    4 e 0.8907(11) 0.1273(5) 0.4405(8) 1.  0 d
  O8    O2-    4 e 0.1778(11) 0.2491(5) 0.2195(8) 1.  0 d
  H1    H1+    4 e 0.36(1) 0.070(4) 0.485(7) 1.  0 d
  H2    H1+    4 e 0.444(10) 0.017(4) 0.323(7) 1.  0 d
  H3    H1+    4 e 0.682(10) 0.198(4) 0.092(7) 1.  0 d
  H4    H1+    4 e 0.684(10) 0.098(4) 0.017(7) 1.  0 d
  H5    H1+    4 e 0.766(10) 0.171(4) 0.463(7) 1.  0 d
  H6    H1+    4 e 0.935(10) 0.096(4) 0.547(7) 1.  0 d
  H7    H1+    4 e 0.322(10) 0.242(4) 0.275(7) 1.  0 d
  H8    H1+    4 e 0.62(1) 0.190(4) 0.759(7) 1.  0 d
_refine_ls_R_factor_all            0.078
_cod_database_code 1100097