#------------------------------------------------------------------------------ #$Date: 2015-10-14 19:30:23 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168967 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539886.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_1539886 loop_ _publ_author_name 'Bronger, W.' 'Balk-Hardtdegen, H.' _publ_section_title ; Darstellung, Struktur und magnetisches Verhalten von Alkalimetallmanganchalkogeniden A6 Mn X4 mit A = Na oder K und X = S, Se oder Te ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 89 _journal_page_last 98 _journal_volume 574 _journal_year 1989 _chemical_formula_sum 'K6 Mn S4' _chemical_name_systematic 'K6 (Mn S4)' _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 9.873 _cell_length_b 9.873 _cell_length_c 7.645 _cell_volume 645.366 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Bronger_ZAACAB_1989_382.cif _cod_data_source_block K6Mn1S4 _cod_original_cell_volume 645.3665 _cod_chemical_formula_sum_orig 'K6 Mn1 S4' _cod_database_code 1539886 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 y,x,z+1/2 -x+y,y,z -x,-x+y,z+1/2 -y,-x,z x-y,-y,z+1/2 x,x-y,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 Mn1 Mn+2 0.3333 0.6667 0.25 1 0.0 S2 S-2 0.19627 -0.19627 0.1499 1 0.0 S1 S-2 0.3333 0.6667 0.572 1 0.0 K1 K+1 0.1461 -0.1461 0.5463 1 0.0 K2 K+1 0.5389 -0.5389 0.3657 1 0.0