#------------------------------------------------------------------------------ #$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $ #$Revision: 201816 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016321.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9016321 loop_ _publ_author_name 'Bordet, P.' 'Boucherle, J.' 'Santoro, A.' 'Marezio, M.' _publ_section_title ; Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3 _cod_database_code 1008359 ; _journal_name_full 'Solid State Ionics' _journal_page_first 243 _journal_page_last 254 _journal_paper_doi 10.1016/0167-2738(86)90079-2 _journal_volume 21 _journal_year 1986 _chemical_formula_sum 'I3 K O9' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 66.08 _cell_angle_beta 60.16 _cell_angle_gamma 71.06 _cell_length_a 8.266 _cell_length_b 8.200 _cell_length_c 8.180 _cell_volume 434.327 _database_code_amcsd 0016270 _exptl_crystal_density_diffrn 4.311 _cod_duplicate_entry 1008359 _cod_original_formula_sum 'I3 O9 K' _cod_database_code 9016321 _amcsd_formula_title 'H2 I3 K O9' loop_ _space_group_symop_operation_xyz x,y,z -x,-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z I1 0.81368 0.18645 0.75488 I2 0.23951 0.73478 0.77795 I3 0.30383 0.20049 0.78194 O1 0.77550 0.42720 0.60100 O2 0.83480 0.08200 0.58070 O3 0.12130 0.55410 0.82120 O4 0.47190 0.65910 0.61180 O5 0.46470 0.23090 0.85190 O6 0.06040 0.18350 0.66020 O7 0.40400 -0.02110 0.75140 O8 0.26350 0.64020 0.00690 O9 0.11750 0.13580 0.03250 K1 0.72330 0.72020 0.76230 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0016270