data_9007476
_chemical_name 'Hexahydrite'
loop_
_publ_author_name
'Zalkin A'
'Ruben H'
'Templeton D H'
_journal_name_full "Acta Crystallographica"
_journal_volume 17
_journal_year 1964
_journal_page_first 235
_journal_page_last 240
_publ_section_title
;
 The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate
 Locality: synthetic
;
_chemical_formula_sum 'Mg S O10 H12'
_cell_length_a 10.110
_cell_length_b 7.212
_cell_length_c 24.41
_cell_angle_alpha 90
_cell_angle_beta 98.30
_cell_angle_gamma 90
_cell_volume 1761.172
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mg1   0.00000   0.00000   0.00000 ?
Mg2   0.00000   0.94250   0.25000 ?
S   0.86590   0.44900   0.12410 ?
O1   0.77470   0.59860   0.13610 ?
O2   0.98340   0.44420   0.16650 ?
O3   0.90690   0.48540   0.06920 ?
O4   0.79610   0.26880   0.12110 ?
O5   0.58520   0.71250   0.04830 ?
O6   0.53930   0.31620   0.06400 ?
O7   0.31260   0.54640   0.02310 ?
O8   0.88870   0.14860   0.28200 ?
O9   0.88840   0.74050   0.28110 ?
O10   0.85980   0.94350   0.17990 ?
H1   0.64300   0.69800   0.07600   0.02406
H2   0.53900   0.80600   0.04500   0.06586
H3   0.49500   0.23200   0.06000   0.02406
H4   0.61400   0.34000   0.09300   0.07219
H5   0.30400   0.65000   0.05500   0.07092
H6   0.27100   0.54400   0.01400   0.02406
H7   0.84000   0.09200   0.31200   0.05446
H8   0.93700   0.23500   0.29600   0.01646
H9   0.94000   0.65100   0.29100   0.07472
H10   0.82000   0.73300   0.27500   0.03926
H11   0.84900   0.83100   0.16400   0.03293
H12   0.84700   0.03300   0.16400   0.02533