#------------------------------------------------------------------------------ #$Date: 2016-09-18 20:34:50 +0300 (Sun, 18 Sep 2016) $ #$Revision: 186638 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/77/1527765.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_1527765 loop_ _publ_author_name 'Maroy, K.' _publ_section_title ; The crystal structure of rubidium telluropentathionate hemitrihydrate ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 2557 _journal_page_last 2568 _journal_volume 25 _journal_year 1971 _chemical_formula_sum 'H3 O7.5 Rb2 S4 Te' _chemical_name_systematic 'Rb2 (Te (S2 O3)2) (H2 O)1.5' _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 21.32 _cell_length_b 9.446 _cell_length_c 12.437 _cell_volume 2504.672 _citation_journal_id_ASTM ACSAA4 _cod_data_source_file Maroy_ACSAA4_1971_1193.cif _cod_data_source_block H3O7.5Rb2S4Te1 _cod_original_formula_sum 'H3 O7.5 Rb2 S4 Te1' _cod_database_code 1527765 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x,y,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z-1/2 -x-1/2,y-1/2,z x,-y,z-1/2 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 _atom_site_attached_hydrogens O6 O-2 0.2687 0.0024 0.3152 1 0.0 0 O2 O-2 0.1074 0.3648 -0.0288 1 0.0 0 S4 S+6 0.2304 -0.0346 0.2198 1 0.0 0 S3 S-2 0.1585 0.1209 0.2296 1 0.0 0 S2 S-2 0.0862 0.0687 -0.0315 1 0.0 0 S1 S+6 0.0535 0.2801 -0.0374 1 0.0 0 O5 O-2 0.2607 -0.0115 0.1163 1 0.0 0 O4 O-2 0.2018 -0.1746 0.2293 1 0.0 0 Rb2 Rb+1 0.3922 0.0856 0.1899 1 0.0 0 O7 O-2 0.1299 0.3334 0.4582 1 0.0 2 Rb1 Rb+1 0.261 0.2519 0.4697 1 0.0 0 Te1 Te+2 0.0715 0.0048 0.1505 1 0.0 0 O3 O-2 0.0302 0.2858 -0.135 1 0.0 0 O8 O-2 0 0.3852 0.25 1 0.0 2 O1 O-2 0.0035 0.2977 0.0368 1 0.0 0