#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:08:04 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147350 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526215.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_1526215 loop_ _publ_author_name 'Park, S.' 'Kim, S.-J.' _publ_section_title ; Synthesis and crystal structure of a new quaternary thioantimonate, Na9 Gd5 Sb8 S26 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 129 _journal_page_last 134 _journal_volume 161 _journal_year 2001 _chemical_formula_sum 'Gd5 Na9 S26 Sb8' _chemical_name_systematic 'Na9 Gd5 Sb8 (S2)2 S22' _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 11.406 _cell_length_b 23.765 _cell_length_c 16.923 _cell_volume 4587.209 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Park_JSSCBI_2001_1659.cif _cod_data_source_block Gd5Na9S26Sb8 _cod_database_code 1526215 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 S9 S-2 0.4828 0.25 0.9922 1 0.0 Na3 Na+1 0.0026 0.5028 0.1232 1 0.0 Na4 Na+1 0.4944 0.503 0.8773 1 0.0 Gd3 Gd+3 0.2417 0.25 0.0001 1 0.0 S8 S-2 0.9998 0.25 0.0084 1 0.0 S15 S-2 0.9768 0.4144 0.0059 1 0.0 S4 S-2 0.7547 0.5019 0.1496 1 0.0 S10 S-1 0.4187 0.25 0.7616 1 0.0 Sb2 Sb+3 0.2329 0.4213 0.7404 1 0.0 S6 S-2 0.746 0.3444 0.1109 1 0.0 S1 S-2 0.9755 0.4125 0.2473 1 0.0 Gd2 Gd+3 0.4958 0.3308 0.8731 1 0.0 S12 S-2 0.2468 0.3376 0.8901 1 0.0 Na5 Na+1 0.7416 0.25 0.0017 1 0.0 Na1 Na+1 0.4882 0.3311 0.6267 1 0.0 Sb1 Sb+3 0.2604 0.4094 0.9963 1 0.0 S2 S-2 0.9819 0.5873 0.2546 1 0.0 Gd1 Gd+3 0.9882 0.3311 0.1272 1 0.0 S7 S-2 0.7382 0.3459 0.8967 1 0.0 S16 S-2 0.4745 0.4136 0.9941 1 0.0 S5 S-2 0.2389 0.3401 0.1049 1 0.0 Na2 Na+1 0.4951 0.3302 0.1278 1 0.0 S14 S-1 0.603 0.25 0.7782 1 0.0 Sb3 Sb+3 0.7611 0.4143 0.0047 1 0.0 S3 S-2 0.7553 0.4996 0.3565 1 0.0 S13 S-1 0.8988 0.25 0.2303 1 0.0 Sb4 Sb+3 0.7609 0.4229 0.2465 1 0.0 S11 S-1 0.0841 0.25 0.2307 1 0.0