#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/12/7221208.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_7221208 loop_ _publ_author_name 'Doerrscheidt, W.' 'Widera, A.' 'Schaefer, H.' _publ_section_title ; Darstellung und Kristallstruktur von Sr5 Sn3 und Ba5 Sn3 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) ; _journal_page_first 1097 _journal_page_last 1099 _journal_volume 32 _journal_year 1977 _chemical_formula_sum 'Ba5 Sn3' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.02 _cell_length_b 9.02 _cell_length_c 16.78 _cell_volume 1365.228 _citation_journal_id_ASTM ZENBAX _cod_data_source_file Doerrscheidt_ZENBAX_1977_165.cif _cod_data_source_block Ba5Sn3 _cod_database_code 7221208 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+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 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 Ba2 Ba 0 0 0 1 0.0 Ba1 Ba 0.1662 0.6662 0.1476 1 0.0 Sn1 Sn 0.3832 0.8832 0 1 0.0 Sn2 Sn 0 0 0.25 1 0.0