#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009141.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_9009141 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 'Pb I2' _chemical_name_mineral PbI2 _symmetry_space_group_name_H-M 'P 3 m 1' _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 20.937 _cell_volume 376.533 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,-x,z -y,x-y,z x,x-y,z -x+y,-x,z -x+y,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb1 0.00000 0.00000 0.00000 Pb2 0.00000 0.00000 0.33333 Pb3 0.66667 0.33333 0.66667 I1 0.00000 0.00000 0.57900 I2 0.33333 0.66667 0.08800 I3 0.66667 0.33333 0.91200 I4 0.33333 0.66667 0.75500 I5 0.66667 0.33333 0.24500 I6 0.33333 0.66667 0.42100