#------------------------------------------------------------------------------ #$Date: 2013-05-02 17:52:58 +0300 (Thu, 02 May 2013) $ #$Revision: 83865 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/94/7209430.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_7209430 loop_ _publ_author_name 'Jung, W.' _publ_section_title ; Neue ternaere Boride der Erdalkalimetalle mit Rhodium und Iridium ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 1221 _journal_page_last 1228 _journal_volume 34 _journal_year 1979 _chemical_formula_sum 'B2 Ba Rh2' _chemical_name_systematic 'Ba Rh2 B2' _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 3.915 _cell_length_b 3.915 _cell_length_c 11.25 _cell_volume 172.431 _citation_journal_id_ASTM ZNBAD2 _[local]_cod_data_source_file boron_11.cif _[local]_cod_data_source_block B2Ba1Rh2 _[local]_cod_chemical_formula_sum_orig 'B2 Ba1 Rh2' _cod_original_cell_volume 172.4313 _cod_database_code 7209430 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 Rh1 Rh 0 0.5 0.25 1 0.0 Ba1 Ba 0 0 0 1 0.0 B1 B 0 0 0.319 1 0.0