#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/60/1526028.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_1526028 loop_ _publ_author_name 'Moeller, A.' _publ_section_title ; Untersuchungen zur Reaktivitt in den Systemen A/Cu/M/O (A = Na-Cs und M = Co, Ni, Cu, Ag). Synthese und Kristallstrukturen von K3 Cu5 O4 und Cs3 Cu5 O4 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1192 _journal_page_last 1198 _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'Cs3 Cu5 O4' _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 106.46 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.277 _cell_length_b 7.6142 _cell_length_c 14.734 _cell_volume 1105.702 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Moeller_ZAACAB_2001_1983.cif _cod_data_source_block Cs3Cu5O4 _cod_database_code 1526028 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 Cs1 Cs+1 0.0999 0.6705 0.5928 1 0.0 Cu3 Cu+1 0.0646 0.3269 0.7408 1 0.0 Cu1 Cu+1 0.0635 0.5801 0.8756 1 0.0 O1 O-2 0.4637 -0.0225 0.3601 1 0.0 Cu4 Cu+1 0.5363 0.2004 0.3768 1 0.0 O3 O-2 0.0032 0.7983 0.8863 1 0.0 Cu2 Cu+1 0.4279 -0.0483 0.2322 1 0.0 O2 O-2 0.1343 0.3579 0.8711 1 0.0 Cs2 Cs+1 0.277 0.2086 0.58177 1 0.0 O4 O-2 0.3912 -0.0804 0.1046 1 0.0 Cs3 Cs+1 0.3197 0.5847 0.39101 1 0.0 Cu5 Cu+1 0.2967 0.0595 0.3612 1 0.0