data_global
_amcsd_formula_title 'MgCl2*2H2O'
loop_
_publ_author_name
'Sugimoto K'
'Dinnebier R E'
'Hanson J C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 63 
_journal_year 2007
_journal_page_first 235
_journal_page_last 242
_publ_section_title
;
 Structures of three dehydration products of bischofite from in situ
 synchrotron powder diffraction data (MgCl2*nH2O; n = 1,2,4)
;
_database_code_amcsd 0009950
_chemical_formula_sum 'Mg Cl2 O2 H4'
_cell_length_a 7.4279
_cell_length_b 8.5736
_cell_length_c 3.65065
_cell_angle_alpha 90
_cell_angle_beta 98.580
_cell_angle_gamma 90
_cell_volume 229.886
_exptl_crystal_density_diffrn      1.896
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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_U_iso_or_equiv
Mg   0.00000   0.00000   0.00000   0.03290
Cl   0.23723   0.00000   0.55880   0.03930
O   0.00000   0.23420   0.00000   0.03100
H   0.10575   0.30380   0.02300   0.03120