data_global _amcsd_formula_title 'Ni(H2O)6(ClO3)2' loop_ _publ_author_name 'Gallucci J C' 'Gerkin R E' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 350 _journal_page_last 354 _publ_section_title ; The structure of hexaaquanickel(II) chlorate ; _database_code_amcsd 0010103 _chemical_formula_sum 'Ni Cl2 O12 H12' _cell_length_a 10.3159 _cell_length_b 10.3159 _cell_length_c 10.3159 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1097.795 _exptl_crystal_density_diffrn 2.019 _symmetry_space_group_name_H-M 'P a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+z,x,1/2-y' 'z,1/2-x,1/2+y' '1/2-z,1/2+x,y' '-z,-x,-y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' 'x,1/2-y,1/2+z' '1/2-x,1/2+y,z' '1/2+x,y,1/2-z' '-x,-y,-z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2-y,1/2+z,x' '1/2+y,z,1/2-x' 'y,1/2-z,1/2+x' '-y,-z,-x' '-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 Ni 0.00000 0.00000 0.00000 0.02292 Cl 0.25378 0.25378 0.25378 0.02672 O1 0.16904 0.67007 0.16536 0.03635 O2 0.02884 -0.02775 0.19505 0.03179 H1 0.05310 0.03430 0.23380 0.06333 H2 -0.03430 -0.04890 0.22810 0.04686