#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/58/1535804.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_1535804 loop_ _publ_author_name 'Doenges, E.' _publ_section_title ; Ueber Tellurohalogenide des dreiwertigen Antimons und Wismuts und ueber Antimon- und Wismut(III)-tellurid und Wismut(III)-selenid ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 56 _journal_page_last 61 _journal_volume 265 _journal_year 1951 _chemical_formula_sum 'Bi Br Te' _chemical_name_systematic 'Bi Te Br' _space_group_IT_number 164 _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 1 _cell_length_a 4.23 _cell_length_b 4.23 _cell_length_c 6.47 _cell_volume 100.257 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Doenges_ZAACAB_1951_929.cif _cod_data_source_block Bi1Br1Te1 _cod_original_cell_volume 100.2572 _cod_original_formula_sum 'Bi1 Br1 Te1' _cod_database_code 1535804 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 -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 Te1 Te-2 0.3333 0.6667 0.272 0.5 0.0 Br1 Br-1 0.3333 0.6667 0.272 0.5 0.0 Bi1 Bi+3 0 0 0 1 0.0