data_global _amcsd_formula_title 'MgCl2*4H2O' 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 0009949 _chemical_formula_sum 'Mg.5 Cl O2 H4' _cell_length_a 4.21616 _cell_length_b 11.0230 _cell_length_c 7.2951 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 339.038 _exptl_crystal_density_diffrn 1.639 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_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' '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_occupancy _atom_site_U_iso_or_equiv Mg 0.00000 0.50000 0.00000 0.50000 0.05350 Cl 0.00000 0.34920 -0.22010 0.50000 0.03510 Wat1 0.50000 0.50000 0.00000 1.00000 0.02460 Wat2 0.00000 0.64320 -0.19190 0.50000 0.01520