data_global _amcsd_formula_title 'YCl2(H2O)6Cl' loop_ _publ_author_name 'Bell A M T' 'Smith A J' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 960 _journal_page_last 962 _publ_section_title ; Structure of hexaaquadichloroyttrium(III) chloride ; _database_code_amcsd 0010136 _chemical_formula_sum 'Y Cl3 O6' _cell_length_a 7.8346 _cell_length_b 6.4729 _cell_length_c 9.5817 _cell_angle_alpha 90 _cell_angle_beta 93.768 _cell_angle_gamma 90 _cell_volume 484.862 _exptl_crystal_density_diffrn 1.995 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,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 Y1 0.25000 0.15560 0.25000 0.01700 Cl1 0.26050 -0.16020 0.06030 0.02800 Cl2 0.75000 -0.37480 0.25000 0.03000 O1 0.10710 0.29990 0.43620 0.02900 O2 0.08940 0.42470 0.14600 0.02900 O3 -0.03910 0.05300 0.21810 0.02900