data_global
_amcsd_formula_title 'MgCl2*H2O'
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 0009951
_chemical_formula_sum 'Mg Cl2 O H2'
_cell_length_a 8.9171
_cell_length_b 3.63421
_cell_length_c 11.4775
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 371.947
_exptl_crystal_density_diffrn      2.022
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-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   0.18330   0.25000   0.01920   0.04660
Cl1   0.31300  -0.25000  -0.08540   0.03750
Cl2   0.03410   0.75000   0.12531   0.04320
O   0.32510   0.25000   0.14490   0.04900
H1   0.30380   0.25000   0.22870   0.05400
H2   0.43480   0.25000   0.13960   0.05400