#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/12/7221230.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_7221230 loop_ _publ_author_name 'Mueller, W.' 'Stoehr, J.' _publ_section_title ; Die Kristallstruktur von Li2 Ga und Li3 Ga2 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) ; _journal_page_first 631 _journal_page_last 636 _journal_volume 32 _journal_year 1977 _chemical_formula_sum 'Ga Li2' _chemical_name_systematic 'Li2 Ga' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.562 _cell_length_b 9.542 _cell_length_c 4.364 _cell_volume 189.968 _citation_journal_id_ASTM ZENBAX _cod_data_source_file Mueller_ZENBAX_1977_149.cif _cod_data_source_block Ga1Li2 _cod_original_cell_volume 189.9675 _cod_original_formula_sum 'Ga1 Li2' _cod_database_code 7221230 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,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 Li2 Li 0 0.412 0.25 1 0.0 Ga1 Ga 0 0.0763 0.25 1 0.0 Li1 Li 0 0.757 0.25 1 0.0