#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104341.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_8104341 loop_ _publ_author_name 'Guentert, O.J.' 'Faessler, A.' _publ_section_title ; Praezisionsbestimmung der Gitterkonstanten der Erdalkalisulfide MgS, CaS, SrS, BaS ; _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 357 _journal_page_last 361 _journal_volume 107 _journal_year 1956 _chemical_formula_sum 'Ba S' _space_group_IT_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.3748 _cell_length_b 6.3748 _cell_length_c 6.3748 _cell_volume 259.060 _citation_journal_id_ASTM ZEKGAX _cod_data_source_file Guentert_ZEKGAX_1956_1634.cif _cod_data_source_block Ba1S1 _cod_original_cell_volume 259.0596 _cod_original_formula_sum 'Ba1 S1' _cod_database_code 8104341 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x x,y+1/2,z+1/2 -y,x+1/2,z+1/2 -x,-y+1/2,z+1/2 y,-x+1/2,z+1/2 x,-y+1/2,-z+1/2 y,x+1/2,-z+1/2 -x,y+1/2,-z+1/2 -y,-x+1/2,-z+1/2 z,x+1/2,y+1/2 -x,z+1/2,y+1/2 -z,-x+1/2,y+1/2 x,-z+1/2,y+1/2 z,-x+1/2,-y+1/2 x,z+1/2,-y+1/2 -z,x+1/2,-y+1/2 -x,-z+1/2,-y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 z,y+1/2,-x+1/2 -y,z+1/2,-x+1/2 -z,-y+1/2,-x+1/2 -y,-z+1/2,x+1/2 z,-y+1/2,x+1/2 -z,y+1/2,x+1/2 -x,-y+1/2,-z+1/2 y,-x+1/2,-z+1/2 x,y+1/2,-z+1/2 -y,x+1/2,-z+1/2 -x,y+1/2,z+1/2 -y,-x+1/2,z+1/2 x,-y+1/2,z+1/2 y,x+1/2,z+1/2 -z,-x+1/2,-y+1/2 x,-z+1/2,-y+1/2 z,x+1/2,-y+1/2 -x,z+1/2,-y+1/2 -z,x+1/2,y+1/2 -x,-z+1/2,y+1/2 z,-x+1/2,y+1/2 x,z+1/2,y+1/2 -y,-z+1/2,-x+1/2 -y,z+1/2,x+1/2 -z,-y+1/2,x+1/2 y,-z+1/2,x+1/2 z,y+1/2,x+1/2 y,z+1/2,-x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 -y+1/2,x,z+1/2 -x+1/2,-y,z+1/2 y+1/2,-x,z+1/2 x+1/2,-y,-z+1/2 y+1/2,x,-z+1/2 -x+1/2,y,-z+1/2 -y+1/2,-x,-z+1/2 z+1/2,x,y+1/2 -x+1/2,z,y+1/2 -z+1/2,-x,y+1/2 x+1/2,-z,y+1/2 z+1/2,-x,-y+1/2 x+1/2,z,-y+1/2 -z+1/2,x,-y+1/2 -x+1/2,-z,-y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 z+1/2,y,-x+1/2 -y+1/2,z,-x+1/2 -z+1/2,-y,-x+1/2 -y+1/2,-z,x+1/2 z+1/2,-y,x+1/2 -z+1/2,y,x+1/2 -x+1/2,-y,-z+1/2 y+1/2,-x,-z+1/2 x+1/2,y,-z+1/2 -y+1/2,x,-z+1/2 -x+1/2,y,z+1/2 -y+1/2,-x,z+1/2 x+1/2,-y,z+1/2 y+1/2,x,z+1/2 -z+1/2,-x,-y+1/2 x+1/2,-z,-y+1/2 z+1/2,x,-y+1/2 -x+1/2,z,-y+1/2 -z+1/2,x,y+1/2 -x+1/2,-z,y+1/2 z+1/2,-x,y+1/2 x+1/2,z,y+1/2 -y+1/2,-z,-x+1/2 -y+1/2,z,x+1/2 -z+1/2,-y,x+1/2 y+1/2,-z,x+1/2 z+1/2,y,x+1/2 y+1/2,z,-x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z -y+1/2,x+1/2,z -x+1/2,-y+1/2,z y+1/2,-x+1/2,z x+1/2,-y+1/2,-z y+1/2,x+1/2,-z -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z z+1/2,x+1/2,y -x+1/2,z+1/2,y -z+1/2,-x+1/2,y x+1/2,-z+1/2,y z+1/2,-x+1/2,-y x+1/2,z+1/2,-y -z+1/2,x+1/2,-y -x+1/2,-z+1/2,-y y+1/2,z+1/2,x y+1/2,-z+1/2,-x z+1/2,y+1/2,-x -y+1/2,z+1/2,-x -z+1/2,-y+1/2,-x -y+1/2,-z+1/2,x z+1/2,-y+1/2,x -z+1/2,y+1/2,x -x+1/2,-y+1/2,-z y+1/2,-x+1/2,-z x+1/2,y+1/2,-z -y+1/2,x+1/2,-z -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,z -z+1/2,-x+1/2,-y x+1/2,-z+1/2,-y z+1/2,x+1/2,-y -x+1/2,z+1/2,-y -z+1/2,x+1/2,y -x+1/2,-z+1/2,y z+1/2,-x+1/2,y x+1/2,z+1/2,y -y+1/2,-z+1/2,-x -y+1/2,z+1/2,x -z+1/2,-y+1/2,x y+1/2,-z+1/2,x z+1/2,y+1/2,x y+1/2,z+1/2,-x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-x 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 0 0.5 1 0.0 Ba1 Ba+2 0 0 0 1 0.0