#------------------------------------------------------------------------------ #$Date: 2009-11-23 07:55:07 +0000 (Mon, 23 Nov 2009) $ #$Revision: 904 $ #$URL: svn://www.crystallography.net/cod/cif/1/1008224.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 _chemical_name_systematic 'Bismuth(I) tetrachloroaluminate' _chemical_formula_structural 'Bi Al Cl4' _chemical_formula_sum 'Al Bi Cl4' _publ_section_title ; Cell dimensions and space group of bismuth(I) chloro-aluminate. ; loop_ _publ_author_name 'Levy, H A' 'Agron, P A' 'Danford, M D' 'Ellison, R D' _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_coden_ASTM ACCRA9 _journal_volume 14 _journal_year 1961 _journal_page_first 549 _journal_page_last 550 _cell_length_a 11.835(3) _cell_length_b 11.835(3) _cell_length_c 29.991(9) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3638.0 _cell_formula_units_Z 18 _exptl_crystal_density_meas 2.9 _symmetry_space_group_name_H-M 'R 3 c H' _symmetry_Int_Tables_number 161 _symmetry_cell_setting trigonal 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 ? ? ? ?