#------------------------------------------------------------------------------ #$Date: 2015-07-11 18:05:54 +0300 (Sat, 11 Jul 2015) $ #$Revision: 145522 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/47/1524709.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_1524709 loop_ _publ_author_name 'Klepp, K.O.' 'Boller, H.' _publ_section_title ; Na3 Fe2 S4: ein Thioferrat mit gemischt valenter (Fe S2)-Kette ; _journal_name_full ; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) ; _journal_page_first 83 _journal_page_last 89 _journal_volume 112 _journal_year 1981 _chemical_formula_sum 'Fe2 Na3 S4' _chemical_name_systematic 'Na3 (Fe2 S4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.6333 _cell_length_b 10.675 _cell_length_c 10.677 _cell_volume 756.043 _citation_journal_id_ASTM MOCMB7 _cod_data_source_file Klepp_MOCMB7_1981_299.cif _cod_data_source_block Fe2Na3S4 _cod_original_cell_volume 756.0435 _cod_database_code 1524709 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 S1 S-2 0.1708 0.5545 0.3731 1 0.0 Na2 Na+1 0.0426 0.4148 0.1428 1 0.0 S3 S-2 0.3731 0.25 0.1639 1 0.0 Na1 Na+1 0.0813 0.25 0.7674 1 0.0 Fe1 Fe+2 0.0469 0.3786 0.4686 1 0.0 S2 S-2 0.3001 0.25 0.5396 1 0.0