#------------------------------------------------------------------------------ #$Date: 2017-07-12 10:07:33 +0300 (Wed, 12 Jul 2017) $ #$Revision: 198667 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/18/1541865.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_1541865 loop_ _publ_author_name 'Milinski, N.' 'Ribar, B.' 'Sataric, M.' _publ_section_title ; Pentaaquatrinitratocerium(III) monohydrate, Ce (H2 O)5 (N O3)3 * H2 O ; _journal_name_full 'Crystal Structure Communications' _journal_page_first 473 _journal_page_last 477 _journal_volume 9 _journal_year 1980 _chemical_formula_sum 'Ce H12 N3 O15' _chemical_name_systematic '(Ce (N O3)3 (H2 O)5) (H2 O)' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.76 _cell_angle_beta 102.19 _cell_angle_gamma 92.08 _cell_formula_units_Z 2 _cell_length_a 8.886 _cell_length_b 10.671 _cell_length_c 6.612 _cell_volume 601.068 _citation_journal_id_ASTM CSCMCS _cod_data_source_file Milinski_CSCMCS_1980_1380.cif _cod_data_source_block H12Ce1N3O15 _cod_original_cell_volume 601.0677 _cod_original_formula_sum 'H12 Ce1 N3 O15' _cod_database_code 1541865 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z 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 _atom_site_attached_hydrogens Ce1 Ce+3 0.30379 0.24311 0.14898 1 0.0 0 N1 N+5 0.1717 -0.0294 0.3033 1 0.0 0 N3 N+5 0.6402 0.1967 0.1171 1 0.0 0 N2 N+5 0.2952 0.5256 0.2348 1 0.0 0 O1 O-2 0.0751 0.0522 0.1974 1 0.0 0 O2 O-2 0.3093 0.0069 0.3426 1 0.0 0 O3 O-2 0.1377 -0.1412 0.3602 1 0.0 0 O4 O-2 0.1734 0.4897 0.1292 1 0.0 0 O5 O-2 0.4133 0.4559 0.2674 1 0.0 0 O6 O-2 0.3004 0.6237 0.3052 1 0.0 0 O7 O-2 0.541 0.108 0.1193 1 0.0 0 O8 O-2 0.5918 0.307 0.1154 1 0.0 0 O9 O-2 0.7723 0.1752 0.119 1 0.0 0 O10 O-2 0.0379 0.2985 -0.0723 1 0.0 2 O11 O-2 0.2416 0.1047 -0.1476 1 0.0 2 O12 O-2 0.3231 0.3924 -0.192 1 0.0 2 O13 O-2 0.4853 0.2025 0.5102 1 0.0 2 O14 O-2 0.1679 0.2654 0.4339 1 0.0 2 O15 O-2 0.8978 0.4023 0.3762 1 0.0 2