#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/73/1527330.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_1527330 loop_ _publ_author_name 'Ehrhardt, H.' 'Seidel, H.' 'Schweer, H.' _publ_section_title ; Hochdrucksynthesen einiger Carbonate mit ueberkritischem C O2 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 185 _journal_page_last 198 _journal_volume 462 _journal_year 1980 _chemical_formula_sum 'C O3 Rb2' _chemical_name_systematic 'Rb2 (C O3)' _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 97.65 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.87 _cell_length_b 10.12 _cell_length_c 7.33 _cell_volume 431.559 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Ehrhardt_ZAACAB_1980_952.cif _cod_data_source_block C1O3Rb2 _cod_original_cell_volume 431.5587 _cod_original_formula_sum 'C1 O3 Rb2' _cod_database_code 1527330 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 O2 O-2 0.052 0.34 0.24 1 0.0 O1 O-2 0.253 0.529 0.284 1 0.0 O3 O-2 0.412 0.351 0.166 1 0.0 Rb2 Rb+1 0.258 0.768 0.527 1 0.0 C1 C+4 0.239 0.407 0.23 1 0.0 Rb1 Rb+1 0.229 0.415 0.694 1 0.0