#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/58/1525845.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_1525845 loop_ _publ_author_name 'Dammak, M.' 'Mhiri, T.' 'Jaud, J.' 'Savariault, J.M.' _publ_section_title ; Structural study of the two new cesium sulfate and selenate tellurate Cs2 S O4 * Te (O H)6 and Cs2 Se O4 * Te (O H)6 ; _journal_name_full 'International Journal of Inorganic Materials' _journal_page_first 861 _journal_page_last 873 _journal_volume 3 _journal_year 2001 _chemical_formula_sum 'Cs2 H6 O10 S Te' _chemical_name_systematic '(Cs2 (S O4)) (Te (O H)6)' _space_group_IT_number 146 _symmetry_space_group_name_Hall 'R 3' _symmetry_space_group_name_H-M 'R 3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 7.479 _cell_length_b 7.479 _cell_length_c 16.637 _cell_volume 805.921 _citation_journal_id_ASTM IJIMCR _cod_data_source_file Dammak_IJIMCR_2001_1053.cif _cod_data_source_block H6Cs2O10S1Te1 _cod_original_cell_volume 805.9214 _cod_original_formula_sum 'H6 Cs2 O10 S1 Te1' _cod_database_code 1525845 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z 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 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 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 Cs1 Cs+1 0 0 0.25844 1 0.0 O1 O-2 0.0027 0.7908 -0.0543 1 0.0 O4 O-2 0 0 0.4225 1 0.0 Te1 Te+6 0 0 0.0101 1 0.0 Cs2 Cs+1 0 0 0.76024 1 0.0 O3 O-2 0.1879 0.1858 0.5149 1 0.0 S1 S+6 0 0 0.5066 1 0.0 H1 H+1 0.8748 0.684 -0.0627 1 0.0 H2 H+1 0.7783 -0.0578 0.1225 1 0.0 O2 O-2 0.7921 0.049 0.0748 1 0.0