data_global _amcsd_formula_title 'Cd4 Cl10 H20 Ni O10' loop_ _publ_author_name 'Leclaire A' 'Borel M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 36 _journal_year 1980 _journal_page_first 3090 _journal_page_last 3093 _publ_section_title ; Structure du Decachlorure de Tetracadmium et de Nickel Monohydrate _cod_database_code 1001170 ; _database_code_amcsd 0009727 _chemical_formula_sum 'Cd4 Ni Cl10 O10 H20' _cell_length_a 6.634 _cell_length_b 12.008 _cell_length_c 16.080 _cell_angle_alpha 90 _cell_angle_beta 108.68 _cell_angle_gamma 90 _cell_volume 1213.472 _exptl_crystal_density_diffrn 2.855 _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 Cd1 -0.19248 0.01811 0.06826 Cd2 0.39289 0.02565 0.19262 Ni1 0.00000 0.00000 0.50000 Cl1 -0.55012 0.12614 0.04764 Cl2 -0.26218 -0.07994 0.19896 Cl3 -0.13625 0.11201 -0.07188 Cl4 0.06808 0.15468 0.17118 Cl5 0.35924 -0.09234 0.31798 O1 0.59556 0.17114 0.27304 O2 0.16920 0.13620 0.55796 O3 -0.02112 0.06567 0.37677 O4 -0.27144 0.07914 0.49991 O5 0.34758 0.17785 0.39963 H1 0.58500 0.24000 0.24800 H2 0.66400 0.16300 0.31100 H3 0.13900 0.19700 0.57200 H4 0.30500 0.12900 0.60400 H5 -0.04300 0.01400 0.34700 H6 0.07300 0.10500 0.38000 H7 -0.32100 0.07600 0.55200 H8 -0.34700 0.10200 0.45900 H9 0.36800 0.23300 0.43700 H10 0.35900 0.21900 0.36300