#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527193.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_1527193 loop_ _publ_author_name 'Brunn, H.' 'Hoppe, R.' _publ_section_title ; Die Kristallstruktur von Cs2 Pr O3, sowie ueber Cs2 Ce O3, Cs2 Tb O3, Rb2 Ce O3 und Rb2 Tb O3 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 189 _journal_page_last 199 _journal_volume 433 _journal_year 1977 _chemical_formula_sum 'Cs2 O3 Pr' _chemical_name_systematic 'Cs2 Pr O3' _space_group_IT_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.47 _cell_length_b 7.722 _cell_length_c 6.427 _cell_volume 569.248 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Brunn_ZAACAB_1977_634.cif _cod_data_source_block Cs2O3Pr1 _cod_original_formula_sum 'Cs2 O3 Pr1' _cod_database_code 1527193 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 O1 O-2 0.1195 0 0 1 0.0 Pr1 Pr+4 0 0.0889 0.25 1 0.0 Cs1 Cs+1 0.3344 0.1429 0.25 1 0.0 O2 O-2 0 0.35 0.182 1 0.0