#------------------------------------------------------------------------------ #$Date: 2015-07-12 20:51:41 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148014 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526771.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_1526771 loop_ _publ_author_name 'Ktari, L.' 'Mhiri, T.' 'Dammak, M.' 'Savariault, J.M.' _publ_section_title ; Thermal behavior and crystal structure at 435 K of the mixed rubidium ammonium sulfate tellurate (Rb1.12 (N H4)0.88 S O4) * (Te (O H)6) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1 _journal_page_last 8 _journal_volume 161 _journal_year 2001 _chemical_formula_sum 'H9.52 N0.88 O10 Rb1.12 S Te' _chemical_name_systematic '(Rb1.12 (N H4)0.88 (S O4)) (Te (O H)6)' _space_group_IT_number 3 _symmetry_space_group_name_Hall 'P 2y' _symmetry_space_group_name_H-M 'P 1 2 1' _cell_angle_alpha 90 _cell_angle_beta 98.03 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.541 _cell_length_b 6.772 _cell_length_c 10.142 _cell_volume 512.850 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Ktari_JSSCBI_2001_1655.cif _cod_data_source_block H9.52N0.88O10Rb1.12S1Te1 _cod_original_cell_volume 512.8499 _cod_chemical_formula_sum_orig 'H9.52 N0.88 O10 Rb1.12 S1 Te1' _cod_database_code 1526771 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-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 O1 O-2 0.191 0.01 0.531 1 0.0 O3 O-2 0.592 0.612 0.11 1 0.0 S1 S+6 0 0.044 0.5 1 0.0 H12 H+1 0.3354 0.5308 0.56 1 0.0 H7 H+1 0.4534 0.1304 0.84 0.44 0.0 H1 H+1 0.0729 0.5345 0.22 0.44 0.0 O9 O-2 0.579 0.809 0.507 1 0.0 Te1 Te+6 0 0.003 0 1 0.0 H3 H+1 0.9563 0.6312 0.34 0.44 0.0 H2 H+1 0.0487 0.6296 0.24 0.44 0.0 Rb1 Rb+1 0.964 0.525 0.26 0.559 0.0 O6 O-2 0.016 0.21 0.872 1 0.0 H14 H+1 0.453 0.4143 0.32 1 0.0 N1 N-3 0.964 0.525 0.26 0.441 0.0 O7 O-2 0.122 0.254 0.084 1 0.0 Rb2 Rb+1 0.483 0.009 0.761 0.559 0.0 Te2 Te+6 0.5 0.541 0.5 1 0.0 H13 H+1 0.4044 0.779 0.56 1 0.0 H8 H+1 0.473 0.0028 0.5882 0.44 0.0 O5 O-2 0.118 0.01 0.845 1 0.0 O4 O-2 0.568 0.645 0.905 1 0.0 H9 H+1 0.1638 0.0306 0.94 1 0.0 H4 H+1 0.83 0.5364 0.26 0.44 0.0 S2 S+6 0.5 0.497 0 1 0.0 H5 H+1 0.5716 0.0346 0.72 0.44 0.0 H10 H+1 0.0597 0.2939 0.08 1 0.0 H6 H+1 0.5495 0.126 0.74 0.44 0.0 O2 O-2 0.047 0.929 0.38 1 0.0 O8 O-2 0.714 0.618 0.436 1 0.0 N2 N-3 0.483 0.009 0.761 0.441 0.0 O10 O-2 0.367 0.487 0.328 1 0.0 H11 H+1 0.2136 0.278 0.16 1 0.0