#------------------------------------------------------------------------------ #$Date: 2016-02-18 15:37:37 +0000 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/82/1008224.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_1008224 loop_ _publ_author_name 'Levy, H A' 'Agron, P A' 'Danford, M D' 'Ellison, R D' _publ_section_title ; Cell dimensions and space group of bismuth(I) chloro-aluminate. ; _journal_coden_ASTM ACCRA9 _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 549 _journal_page_last 550 _journal_paper_doi 10.1107/S0365110X61001753 _journal_volume 14 _journal_year 1961 _chemical_formula_structural 'Bi Al Cl4' _chemical_formula_sum 'Al Bi Cl4' _chemical_name_systematic 'Bismuth(I) tetrachloroaluminate' _space_group_IT_number 161 _symmetry_cell_setting trigonal _symmetry_Int_Tables_number 161 _symmetry_space_group_name_Hall 'R 3 -2"c' _symmetry_space_group_name_H-M 'R 3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 18 _cell_length_a 11.835(3) _cell_length_b 11.835(3) _cell_length_c 29.991(9) _cell_volume 3638.0 _exptl_crystal_density_meas 2.9 _cod_original_sg_symbol_H-M 'R 3 c H' _cod_database_code 1008224 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z -y,-x,1/2+z x,x-y,1/2+z y-x,y,1/2+z 1/3+x,2/3+y,2/3+z 2/3+x,1/3+y,1/3+z 1/3-y,2/3+x-y,2/3+z 2/3-y,1/3+x-y,1/3+z 1/3-x+y,2/3-x,2/3+z 2/3-x+y,1/3-x,1/3+z 1/3-y,2/3-x,1/6+z 2/3-y,1/3-x,5/6+z 1/3+x,2/3+x-y,1/6+z 2/3+x,1/3+x-y,5/6+z 1/3-x+y,2/3+y,1/6+z 2/3-x+y,1/3+y,5/6+z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?