#------------------------------------------------------------------------------ #$Date: 2015-10-10 01:17:26 +0300 (Sat, 10 Oct 2015) $ #$Revision: 163611 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/60/1536040.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_1536040 loop_ _publ_author_name 'Vigdorchik, A.G.' 'Malinovskii, Yu.A.' 'Dryuchko, A.G.' _publ_section_title ; Crystal structure of cesium - cerium nitrate Cs2: Ce (N O3)5 (H2 O)2: ; _journal_name_full Kristallografiya _journal_page_first 1399 _journal_page_last 1402 _journal_volume 35 _journal_year 1990 _chemical_formula_sum 'Ce Cs2 H4 N5 O17' _chemical_name_systematic 'Cs2 (Ce (N O3)5 (H2 O)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 103.77 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.125 _cell_length_b 8.798 _cell_length_c 16.503 _cell_volume 1568.852 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Vigdorchik_KRISAJ_1990_1062.cif _cod_data_source_block H4Ce1Cs2N5O17 _cod_chemical_formula_sum_orig 'H4 Ce1 Cs2 N5 O17' _cod_database_code 1536040 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 Ce1 Ce+3 0 0.038 0.25 1 0.0 O9 O-2 0.421 0.321 0.3226 1 0.0 N2 N+5 0.2312 0.4839 0.1534 1 0.0 O1 O-2 0.4609 0.3165 0.0091 1 0.0 N3 N+5 0 0.384 0.25 1 0.0 O2 O-2 0.0562 0.127 0.1185 1 0.0 N1 N+5 0.0093 0.1658 0.4503 1 0.0 O5 O-2 0.3201 0.4051 0.1403 1 0.0 O3 O-2 0.1219 0.1874 0.4592 1 0.0 O8 O-2 0.5 0.0234 0.25 1 0.0 O7 O-2 0.0951 0.3091 0.2848 1 0.0 O4 O-2 0.2425 0.0725 0.2843 1 0.0 Cs1 Cs+1 0.3107 0.0475 0.0746 1 0.0 O6 O-2 0.1275 0.4812 0.1071 1 0.0