data_global _amcsd_formula_title 'Cu(ClO4)2*8H2O' loop_ _publ_author_name 'Li X H' 'Xia F Y' 'Xiao H P' 'Hu M L' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 60 _journal_year 2004 _journal_page_first i31 _journal_page_last i32 _publ_section_title ; Hexaaquacopper(II) diperchlorate dihydrate ; _database_code_amcsd 0010424 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu Cl2 O16 H16' _cell_length_a 6.2908 _cell_length_b 12.4043 _cell_length_c 9.2181 _cell_angle_alpha 90 _cell_angle_beta 106.146 _cell_angle_gamma 90 _cell_volume 690.943 _exptl_crystal_density_diffrn 1.954 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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 Cu1 0.00000 0.00000 0.00000 0.01940 Cl1 0.74453 0.36091 0.90881 0.02600 O1 0.59950 0.26775 0.91390 0.03620 O2 0.63160 0.42973 0.77920 0.03000 O3 0.78040 0.42350 0.04750 0.04470 O4 0.95700 0.32161 0.88970 0.03390 O5 0.71630 0.06506 0.00410 0.02620 H5A 0.68680 0.06260 0.08490 0.03900 H5 0.68910 0.12710 -0.02560 0.03900 O6 0.96820 -0.10908 0.16460 0.03220 H6A 0.03900 -0.09790 0.25170 0.04800 H6 0.99320 -0.17020 0.14080 0.04800 O7 0.17440 0.11570 0.17370 0.03490 H7A 0.11370 0.12470 0.23970 0.05200 H7 0.30340 0.09990 0.21180 0.05200 O8 0.64140 0.65120 0.86700 0.04630 H8A 0.63190 0.58720 0.84160 0.07000 H8 0.59890 0.69310 0.79470 0.07000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cu1 0.02020 0.02000 0.01770 0.00153 0.00480 -0.00048 Cl1 0.02830 0.02560 0.02310 0.00260 0.00590 0.00320 O1 0.03190 0.02890 0.04870 -0.00060 0.01250 0.01080 O2 0.03340 0.03130 0.02460 0.00510 0.00680 0.00830 O3 0.05960 0.04740 0.02330 0.00680 0.00510 -0.00620 O4 0.02470 0.03280 0.04440 0.00430 0.01010 0.00180 O5 0.02820 0.02570 0.02640 0.00430 0.01040 0.00250 O6 0.03800 0.02900 0.02730 0.00450 0.00540 -0.00250 O7 0.02840 0.04460 0.03070 0.00390 0.00670 -0.00250 O8 0.05280 0.04240 0.04620 0.00200 0.01770 0.00140