data_global _amcsd_formula_title 'Li2ZnCl4*2H2O' loop_ _publ_author_name 'Jacobi H' 'Brehler B' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 128 _journal_year 1969 _journal_page_first 390 _journal_page_last 405 _publ_section_title ; Die kristallstruktur des Li2ZnCl4*2H2O ; _database_code_amcsd 0010675 _chemical_formula_sum 'Li2 Zn Cl4 (O2 H4)' _cell_length_a 10.24 _cell_length_b 11.98 _cell_length_c 6.44 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 790.028 _exptl_crystal_density_diffrn 2.162 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Li1 0.37700 0.26800 0.31200 0.06333 Li2 0.20000 0.24700 0.74800 0.05066 Zn 0.03850 0.04770 0.22230 ? Cl1 0.03010 0.08180 0.57040 ? Cl2 0.20580 0.14720 0.09180 ? Cl3 0.43150 0.14050 0.66840 ? Cl4 0.34570 0.40900 0.93690 ? Wat1 0.02250 0.31760 0.83090 ? Wat2 0.22580 0.32470 0.47720 ? 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 Zn 0.02072 0.01745 0.02710 0.00249 0.00134 0.00117 Cl1 0.03878 0.02327 0.02374 0.00373 0.00334 -0.00274 Cl2 0.02337 0.03199 0.02942 -0.00808 0.00167 0.00313 Cl3 0.02497 0.01818 0.03299 0.00249 0.00535 0.00274 Cl4 0.02337 0.02472 0.03572 -0.00186 0.00401 -0.00078 Wat1 0.01965 0.03345 0.03152 -0.00186 0.00134 -0.00469 Wat2 0.01965 0.03054 0.03509 0.00435 -0.00367 -0.00313