#------------------------------------------------------------------------------ #$Date: 2015-09-10 00:52:58 +0300 (Thu, 10 Sep 2015) $ #$Revision: 155824 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/06/1530685.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_1530685 loop_ _publ_author_name 'Samartsev, B.G.' 'Pokrovskii, A.N.' 'Kovba, L.M.' _publ_section_title ; Structure of Cs3 Yb (S O4)3 ; _journal_name_full Kristallografiya _journal_page_first 394 _journal_page_last 396 _journal_volume 25 _journal_year 1980 _chemical_formula_sum 'Cs3 O12 S3 Yb' _chemical_name_systematic 'Cs3 Yb (S O4)3' _space_group_IT_number 161 _symmetry_space_group_name_Hall 'R 3 -2"c' _symmetry_space_group_name_H-M 'R 3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 16.03999 _cell_length_b 16.03999 _cell_length_c 9.479 _cell_volume 2112.036 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Samartsev_KRISAJ_1980_646.cif _cod_data_source_block Cs3O12S3Yb1 _cod_chemical_formula_sum_orig 'Cs3 O12 S3 Yb1' _cod_database_code 1530685 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -y,-x,z+1/2 x,x-y,z+1/2 -x+y,y,z+1/2 x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -y+2/3,-x+1/3,z+5/6 x+2/3,x-y+1/3,z+5/6 -x+y+2/3,y+1/3,z+5/6 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -y+1/3,-x+2/3,z+7/6 x+1/3,x-y+2/3,z+7/6 -x+y+1/3,y+2/3,z+7/6 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 O1 O-2 0.1188 0.104 0.3606 1 0.0 S1 S+6 0.1443 0.1731 0.2432 1 0.0 O3 O-2 0.1081 0.123 0.1144 1 0.0 Cs1 Cs+1 0.3035 0.083 0.3801 1 0.0 O2 O-2 0.2488 0.2309 0.2316 1 0.0 Yb1 Yb+3 0 0 0 1 0.0 O4 O-2 0.1066 0.2381 0.2821 1 0.0