#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009140.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_9009140 loop_ _publ_author_name 'Wyckoff R W G' _publ_section_title ; Second edition. Interscience Publishers, New York, New York ; _journal_name_full 'Crystal Structures' _journal_page_first 239 _journal_page_last 444 _journal_volume 1 _journal_year 1963 _chemical_formula_sum 'I2 Pb' _[local]_cod_chemical_formula_sum_orig 'Pb I2' _chemical_name_mineral PbI2 _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 4.557 _cell_length_b 4.557 _cell_length_c 13.958 _cell_volume 251.022 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 Pb 0.33333 0.66667 0.00000 I1 0.33333 0.66667 0.36700 I2 0.00000 0.00000 0.63300