#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1100090.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_1100090
_chemical_name_systematic          'Magnesium sulfate tetrahydrate'
_chemical_name_mineral             'Starkeyite'
loop_
_publ_author_name                  'Baur, W H'
_journal_name_full                 'Acta Crystallographica (1,1948-23,1967)'
_journal_volume                    17
_journal_year                      1964
_journal_page_first                863
_journal_page_last                 869
_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 0.0691(4) 0.1030(2) 0.2216(3) 1.  0 d
  S1    S6+    4 e 0.1957(3) 0.1070(1) 0.8263(2) 1.  0 d
  O1    O2-    4 e 0.0074(6) 0.0460(2) 0.7601(4) 1.  0 d
  O2    O2-    4 e 0.2482(7) 0.0774(2) 0.0011(4) 1.  0 d
  O3    O2-    4 e 0.3975(8) 0.0913(3) 0.7218(5) 1.  0 d
  O4    O2-    4 e 0.1290(6) 0.2106(2) 0.8148(5) 1.  0 d
  O5    O2-    4 e 0.3583(9) 0.0740(3) 0.3589(5) 1.  2 d
  O6    O2-    4 e 0.7716(7) 0.1395(3) 0.0914(5) 1.  2 d
  O7    O2-    4 e 0.8974(8) 0.1282(3) 0.4412(5) 1.  2 d
  O8    O2-    4 e 0.1752(7) 0.2482(3) 0.2222(6) 1.  2 d
  H1    H1+    4 e 0.3726(23) 0.0851(8) 0.4797(13) 1.  0 d
  H2    H1+    4 e 0.4580(16) 0.0232(9) 0.3246(12) 1.  0 d
  H3    H1+    4 e 0.6802(23) 0.1904(11) 0.1417(20) 1.  0 d
  H4    H1+    4 e 0.6819(29) 0.0943(12) 0.0330(29) 1.  0 d
  H5    H1+    4 e 0.8018(23) 0.1855(8) 0.4560(16) 1.  0 d
  H6    H1+    4 e 0.9207(20) 0.0980(9) 0.5533(12) 1.  0 d
  H7    H1+    4 e 0.3167(18) 0.2645(8) 0.2753(18) 1.  0 d
  H8    H1+    4 e 0.5771(20) 0.1938(6) 0.7249(12) 1.  0 d
_refine_ls_R_factor_all            0.086