data_global _amcsd_formula_title 'SrCl2*6H2O' loop_ _publ_author_name 'Agron P A' 'Busing W R' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 42 _journal_year 1986 _journal_page_first 141 _journal_page_last 143 _publ_section_title ; Calcium and strontium dichloride hexahydrates by neutron diffraction ; _database_code_amcsd 0010028 _chemical_formula_sum 'Sr Cl2 O6 H12' _cell_length_a 7.9596 _cell_length_b 7.9596 _cell_length_c 4.1243 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 226.289 _exptl_crystal_density_diffrn 1.956 _symmetry_space_group_name_H-M 'P 3 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' '-y,x-y,z' '-x,-x+y,-z' '-x+y,-x,z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Sr 0.00000 0.00000 0.00000 0.01697 Cl 0.33330 0.66670 0.41900 0.03090 O1 0.32290 0.00000 0.00000 0.03255 O2 -0.22190 0.00000 0.50000 0.02457 H1 0.44190 0.09640 -0.08990 0.05712 H2 -0.24150 0.11030 0.48870 0.04433