#------------------------------------------------------------------------------ #$Date: 2015-10-09 15:57:03 +0300 (Fri, 09 Oct 2015) $ #$Revision: 162060 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/49/1534969.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_1534969 loop_ _publ_author_name 'Beck, J.' 'Fischer, A.' _publ_section_title ; Se Br3 (Al Br4) und Te I3 (Al I4) - zwei weitere Vertreter des S Cl3 (Al Cl4)-Strukturtyps ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1042 _journal_page_last 1046 _journal_volume 621 _journal_year 1995 _chemical_formula_sum 'Al Br7 Se' _chemical_name_systematic '(Se Br3) (Al Br4)' _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 101.21 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.707 _cell_length_b 6.639 _cell_length_c 14.28 _cell_volume 623.725 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Beck_ZAACAB_1995_1724.cif _cod_data_source_block Al1Br7Se1 _cod_original_cell_volume 623.7252 _cod_chemical_formula_sum_orig 'Al1 Br7 Se1' _cod_database_code 1534969 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z+1/2 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 Br2 Br-1 0.2585 0.3873 -0.0385 1 0.0 Br7 Br-1 -0.5128 0.8491 -0.2914 1 0.0 Br6 Br-1 -0.3281 0.3399 -0.1741 1 0.0 Br1 Br-1 -0.1218 0.3737 0.1055 1 0.0 Br5 Br-1 -0.3786 0.8865 -0.0237 1 0.0 Se1 Se+4 0 0.5773 0 1 0.0 Al1 Al+3 -0.3003 0.9936 -0.1653 1 0.0 Br3 Br-1 0.1892 0.8001 0.1057 1 0.0 Br4 Br-1 0.0292 0.8962 -0.1681 1 0.0