#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106081.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106081 loop_ _publ_author_name 'Bruzzone, G.' _publ_section_title ; The Al4 Ba structure type in intermetallic compounds ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1206 _journal_page_last 1207 _journal_volume 25 _journal_year 1969 _chemical_formula_sum 'Ga4 Na' _chemical_name_systematic 'Ga4 Na' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.223 _cell_length_b 4.223 _cell_length_c 11.19 _cell_volume 199.559 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Bruzzone_ACBCAR_1969_228.cif _cod_data_source_block Ga4Na1 _cod_original_cell_volume 199.5594 _cod_original_formula_sum 'Ga4 Na1' _cod_database_code 2106081 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Ga2 Ga 0 0 0.381 1 0.0 Na1 Na 0 0 0 1 0.0 Ga1 Ga 0 0.5 0.25 1 0.0