#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:24:16 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147456 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/63/1526307.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_1526307 loop_ _publ_author_name 'Prelesnik, P.V.' 'Gabela, F.' 'Ribar, B.' 'Krstanovic, I.' _publ_section_title ; Hexaquacobalt(II) nitrate, Co (O H2)6 (N O3)2 ; _journal_name_full 'Crystal Structure Communications' _journal_page_first 581 _journal_page_last 583 _journal_volume 2 _journal_year 1973 _chemical_formula_sum 'Co H12 N2 O12' _chemical_name_systematic '(Co (H2 O)6) (N O3)2' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 118.45 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 14.96 _cell_length_b 6.112 _cell_length_c 12.632 _cell_volume 1015.526 _citation_journal_id_ASTM CSCMCS _cod_data_source_file Prelesnik_CSCMCS_1973_869.cif _cod_data_source_block H12Co1N2O12 _cod_chemical_formula_sum_orig 'H12 Co1 N2 O12' _cod_database_code 1526307 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-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 O4 O-2 0.4388 0.2693 0.073 1 0.0 O2 O-2 0.2436 0.4485 0.3618 1 0.0 O5 O-2 0.4432 0.0288 0.3374 1 0.0 O1 O-2 0.094 0.218 0.4157 1 0.0 O3 O-2 0.2356 0.4713 0.0855 1 0.0 N1 N+5 0.4711 0.2251 0.3594 1 0.0 Co1 Co+2 0.25 0.25 0.5 1 0.0 O6 O-2 0.4069 0.3762 0.3109 1 0.0