#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/36/8103670.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_8103670 loop_ _publ_author_name 'Ribar, B.' 'Milinski, N.' 'Herak, R.' 'Krstanovic, I.' 'Djuric, S.' _publ_section_title ; The crystal structure of cobalt nitrate dihydrate Co (N O3)2 (H2 O)2 ; _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 133 _journal_page_last 138 _journal_volume 144 _journal_year 1976 _chemical_formula_sum 'Co H4 N2 O8' _chemical_name_systematic 'Co (N O3)2 (H2 O)2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 92.65 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.019 _cell_length_b 8.629 _cell_length_c 5.729 _cell_volume 297.234 _citation_journal_id_ASTM ZEKGAX _cod_data_source_file Ribar_ZEKGAX_1976_829.cif _cod_data_source_block H4Co1N2O8 _cod_original_cell_volume 297.2343 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'H4 Co1 N2 O8' _cod_database_code 8103670 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O3 O-2 0.1254 0.2352 0.4258 1 0.0 O1 O-2 0.1088 0.2328 0.0447 1 0.0 Co1 Co+2 0 0 0 1 0.0 O4 O-2 0.7457 0.5149 0.2644 1 0.0 N1 N+5 0.1702 0.2939 0.2384 1 0.0 O2 O-2 0.279 0.4199 0.2277 1 0.0