#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/00/87/9008790.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_9008790 loop_ _publ_author_name 'Wyckoff, R. W. G.' _publ_section_title ; Second edition. Interscience Publishers, New York, New York Note: CsCl structure, cesium chloride structure ; _journal_name_full 'Crystal Structures' _journal_page_first 85 _journal_page_last 237 _journal_volume 1 _journal_year 1963 _chemical_formula_structural CsI _chemical_formula_sum 'Cs I' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.5667 _cell_length_b 4.5667 _cell_length_c 4.5667 _cell_volume 95.237 _database_code_amcsd 0011468 _exptl_crystal_density_diffrn 4.530 _cod_original_sg_symbol_H-M 'P m 3 m' _cod_database_code 9008790 _amcsd_formula_title CsI loop_ _space_group_symop_operation_xyz x,y,z z,-x,y -y,z,-x x,-y,z -z,x,-y y,-z,x -x,y,-z x,-z,-y -z,y,x y,-x,-z -x,z,y z,-y,-x -y,x,z x,z,y -z,-y,-x y,x,z -x,-z,-y z,y,x -y,-x,-z z,x,-y -y,-z,x x,y,-z -z,-x,y y,z,-x -x,-y,z -z,x,y y,-z,-x -x,y,z z,-x,-y -y,z,x x,-y,-z -x,z,-y z,-y,x -y,x,-z x,-z,y -z,y,-x y,-x,z -x,-z,y z,y,-x -y,-x,z x,z,-y -z,-y,x y,x,-z -z,-x,-y y,z,x -x,-y,-z z,x,y -y,-z,-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cs 0.00000 0.00000 0.00000 I 0.50000 0.50000 0.50000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0011468