#------------------------------------------------------------------------------ #$Date: 2013-04-06 11:30:23 +0300 (Sat, 06 Apr 2013) $ #$Revision: 79904 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509059.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_1509059 loop_ _publ_author_name 'Baranova, R.V.' 'Pinsker, T.G.' 'Avilov, A.S.' _publ_section_title ; Synthesis of the hexagonal telluride Cu(1-x) Ag(1-y) Te and determinataion of its structure by electron diffraction ; _journal_name_full Kristallografiya _journal_page_first 89 _journal_page_last 95 _journal_volume 21 _journal_year 1976 _chemical_formula_sum 'Ag0.96 Cu0.8 Te' _chemical_name_systematic 'Copper silver telluride (0.8/0.96/1)' _space_group_IT_number 156 _symmetry_space_group_name_Hall 'P 3 -2"' _symmetry_space_group_name_H-M 'P 3 m 1' _atom_site_B_iso_or_equiv 0 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 24 _cell_length_a 8.54 _cell_length_b 8.54 _cell_length_c 21.7 _cell_volume 1370.585 _citation_journal_id_ASTM KRISAJ _[local]_cod_data_source_file silver0-1_190.cif _[local]_cod_data_source_block Ag0.96Cu0.8Te1 _[local]_cod_chemical_formula_sum_orig 'Ag0.96 Cu0.8 Te1' _cod_database_code 1509059 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 Cu15 Cu+1 0 0 0.887 0.55 Te10 Te-2 0.16 0.84 0.974 1 Ag1 Ag+1 0.503 0.497 0.019 0.9 Te7 Te-2 0.825 0.175 0.518 1 Ag10 Ag+1 0.765 0.235 0.908 1 Te4 Te-2 0.814 0.186 0.291 1 Te3 Te-2 0.6667 0.3333 0.197 1 Cu6 Cu+1 0.3333 0.6667 0.277 0.5 Cu11 Cu+1 0 0 0.688 1 Cu8 Cu+1 0.3333 0.6667 0.376 0.85 Ag7 Ag+1 0 0 0.791 1 Cu1 Cu+1 0 0 0.105 1 Cu9 Cu+1 0.777 0.223 0.416 0.65 Cu3 Cu+1 0.3333 0.6667 0.145 0.75 Te1 Te-2 0.3333 0.6667 0.021 1 Cu12 Cu+1 0.785 0.215 0.768 0.65 Ag9 Ag+1 0.165 0.835 0.852 1 Te5 Te-2 0.505 0.495 0.444 1 Cu5 Cu+1 0.145 0.855 0.202 0.55 Ag2 Ag+1 0.834 0.166 0.031 1 Cu10 Cu+1 0.3333 0.6667 0.605 0.8 Cu7 Cu+1 0 0 0.305 1 Cu4 Cu+1 0.505 0.495 0.198 0.85 Ag4 Ag+1 0.17 0.83 0.349 1 Te6 Te-2 0.3333 0.6667 0.509 1 Te8 Te-2 0.145 0.855 0.62 1 Cu13 Cu+1 0.3333 0.6667 0.822 1 Cu2 Cu+1 0.19 0.81 0.11 1 Cu14 Cu+1 0.6667 0.3333 0.849 0.75 Te9 Te-2 0.505 0.495 0.676 1 Te2 Te-2 0.832 0.168 0.141 1 Ag3 Ag+1 0.501 0.499 0.307 1 Ag5 Ag+1 0 0 0.526 1 Ag6 Ag+1 0.6667 0.3333 0.617 1 Ag8 Ag+1 0.505 0.495 0.798 0.8