#------------------------------------------------------------------------------ #$Date: 2015-10-14 19:26:57 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168964 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539883.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_1539883 loop_ _publ_author_name 'Bronger, W.' 'Hendriks, U.' 'Mueller, P.' _publ_section_title ; Struktur und magnetische Eigenschaften von Cs2 Mn3 S4 und Cs2 Co3 S4 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 95 _journal_page_last 105 _journal_volume 559 _journal_year 1988 _chemical_formula_sum 'Cs2 Mn3 S4' _chemical_name_systematic 'Cs2 Mn3 S4' _space_group_IT_number 72 _symmetry_space_group_name_Hall '-I 2 2c' _symmetry_space_group_name_H-M 'I b a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.94 _cell_length_b 11.49 _cell_length_c 14.169 _cell_volume 967.043 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Bronger_ZAACAB_1988_33.cif _cod_data_source_block Cs2Mn3S4 _cod_original_cell_volume 967.0427 _cod_database_code 1539883 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z+1/2 -x,y,-z+1/2 -x,-y,-z x,y,-z -x,y,z-1/2 x,-y,z-1/2 x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1 -x+1/2,y+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z x+1/2,-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 Cs1 Cs+1 0.2323 0.1192 0 1 0.0 Mn1 Mn+2 0 0.23 0.25 1 0.0 Mn2 Mn+2 0.5 0 0.25 1 0.0 S1 S-2 0.2208 0.3662 0.1532 1 0.0