#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:59:37 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174267 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/22/1542211.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_1542211 loop_ _publ_author_name 'Hohnstedt, C.' 'Meyer, G.' _publ_section_title ; Metallothermische Reduktion des Tribromids und -iodids von Neodym mit Alkalimatallen ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1379 _journal_page_last 1383 _journal_volume 619 _journal_year 1993 _chemical_formula_sum 'I5 Nd2 Rb' _chemical_name_systematic 'Rb Nd2 I5' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.12 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.15 _cell_length_b 9.05 _cell_length_c 14.327 _cell_volume 1316.040 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Hohnstedt_ZAACAB_1993_1555.cif _cod_data_source_block I5Nd2Rb1 _cod_original_cell_volume 1316.039 _cod_chemical_formula_sum_orig 'I5 Nd2 Rb1' _cod_database_code 1542211 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-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 Rb1 Rb+1 0.507 0.0526 0.8313 1 0.0 I1 I-1 0.9568 0.1646 0.5957 1 0.0 Nd1 Nd+2 0.0013 0.0287 0.8212 1 0.0 I2 I-1 0.2189 0.0427 0.0021 1 0.0 Nd2 Nd+2 0.2494 0.424 0.0075 1 0.0 I4 I-1 0.2324 0.3118 0.7816 1 0.0 I3 I-1 0.5405 0.1766 0.5824 1 0.0 I5 I-1 0.7791 0.3376 0.8154 1 0.0