#------------------------------------------------------------------------------ #$Date: 2008-03-10 08:25:41 +0000 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: svn://www.crystallography.net/cod/cif/9/9007745.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_9007745 loop_ _publ_author_name 'Itoh K' 'Ukeda T' 'Ozaki T' 'Nakamura E' _publ_section_title ; Redetermination of the structure of caesium hydrogensulfate ; _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 358 _journal_page_last 361 _journal_volume 46 _journal_year 1990 _chemical_formula_sum 'Cs S O4 H' _chemical_name_mineral CsHSO4 _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 119.39 _cell_angle_gamma 90 _cell_length_a 8.214 _cell_length_b 5.809 _cell_length_c 10.984 _cell_volume 456.651 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs 0.28808 0.74303 0.15233 0.02340 S 0.24590 0.23590 0.39740 0.01840 O1 0.30080 0.24800 0.29170 0.03200 O2 0.39290 0.24040 0.53920 0.03400 O3 0.11580 0.04440 0.37070 0.03300 O4 0.13040 0.45990 0.38200 0.03400 H -0.02600 0.49400 0.27600 0.00500