data_global _amcsd_formula_title 'Ni(BrO4)2.6H2O' loop_ _publ_author_name 'Gallucci J C' 'Gerkin R E' 'Reppart W J' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 1580 _journal_page_last 1584 _publ_section_title ; Structure of nickel(II) perbromate hexahydrate at 296K ; _database_code_amcsd 0010171 _chemical_formula_sum 'Ni Br2 O14 H12' _cell_length_a 7.874 _cell_length_b 7.874 _cell_length_c 5.423 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 291.180 _exptl_crystal_density_diffrn 2.592 _symmetry_space_group_name_H-M 'P -3' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,-x+y,-z' '-x+y,-x,z' '-x,-y,-z' '-y,x-y,z' 'x-y,x,-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 0.50000 0.01800 Br 0.33333 0.66667 0.17900 0.02000 O1 0.33333 0.66667 0.88353 0.03400 O2 0.24091 0.09702 0.27594 0.03500 O3 0.41429 0.52839 0.28054 0.04100 H1 0.28970 0.21130 0.24300 0.08200 H2 0.32950 0.06810 0.29340 0.09300