#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/22/1542227.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_1542227 loop_ _publ_author_name 'Kurdyumova, R.N.' 'Baranova, R.V.' _publ_section_title ; An electron diffraction study of thin films of cuprous iodide ; _journal_name_full Kristallografiya _journal_page_first 402 _journal_page_last 405 _journal_volume 6 _journal_year 1961 _chemical_formula_sum 'Cu I' _space_group_IT_number 156 _symmetry_space_group_name_Hall 'P 3 -2"' _symmetry_space_group_name_H-M 'P 3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 4.25 _cell_length_b 4.25 _cell_length_c 20.86 _cell_volume 326.304 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Kurdyumova_KRISAJ_1961_1682.cif _cod_data_source_block Cu1I1 _cod_original_cell_volume 326.3043 _cod_original_formula_sum 'Cu1 I1' _cod_database_code 1542227 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -y,-x,z x,x-y,z -x+y,y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu3 Cu+1 0.3333 0.6667 0.375 1 0.0 I3 I-1 0 0 0.3333 1 0.0 Cu4 Cu+1 0 0 0.4583 1 0.0 I2 I-1 0.3333 0.6667 0.1667 1 0.0 I5 I-1 0 0 0.6667 1 0.0 Cu5 Cu+1 0.6667 0.3333 0.7083 1 0.0 I6 I-1 0.6667 0.3333 0.8333 1 0.0 Cu6 Cu+1 0 0 0.7917 1 0.0 I1 I-1 0 0 0 1 0.0 I4 I-1 0.3333 0.6667 0.5 1 0.0 Cu1 Cu+1 0.3333 0.6667 0.04167 1 0.0 Cu2 Cu+1 0 0 0.125 1 0.0