#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # 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_9011694 loop_ _publ_author_name 'Hull, S.' 'Keen, D. A.' _publ_section_title ; Pressure-induced phase transitions in AgCl, AgBr, and AgI Sample: P = 0.0 GPa, Phase II ; _journal_name_full 'Physical Review B' _journal_page_first 750 _journal_page_last 761 _journal_volume 59 _journal_year 1999 _chemical_formula_sum 'Ag I' _chemical_name_mineral AgI _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.599 _cell_length_b 4.599 _cell_length_c 7.524 _cell_volume 137.818 _diffrn_ambient_pressure 0 _[local]_cod_data_source_file 11033.cif _[local]_cod_data_source_block global loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-x+y,1/2+z x-y,x,1/2+z -y,-x,z -y,x-y,z x-y,-y,1/2+z -x,-y,1/2+z x,x-y,z -x+y,-x,z y,x,1/2+z y,-x+y,1/2+z -x+y,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ag 0.00000 0.00000 0.00000 0.11272 I 0.00000 0.00000 0.33500 0.07346