#------------------------------------------------------------------------------ #$Date: 2013-05-02 18:42:39 +0300 (Thu, 02 May 2013) $ #$Revision: 84164 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/08/1510876.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_1510876 loop_ _publ_author_name 'Jung, W.' _publ_section_title ; AnRh3n-1B2n mit A= Ca und Sr, eine homologe Reihe ternaerer Erdalkali-Rhodiumboride aus Bauelementen der CeCo3B2-und der CaRh2B2-Struktur ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 253 _journal_page_last 263 _journal_volume 97 _journal_year 1984 _chemical_formula_sum 'B2 Ca Rh3' _chemical_name_systematic 'Ca Rh3 B2' _space_group_IT_number 191 _symmetry_space_group_name_Hall '-P 6 2' _symmetry_space_group_name_H-M 'P 6/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 5.551 _cell_length_b 5.551 _cell_length_c 2.919 _cell_volume 77.895 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file boron_39.cif _[local]_cod_data_source_block B2Ca1Rh3 _[local]_cod_chemical_formula_sum_orig 'B2 Ca1 Rh3' _cod_original_cell_volume 77.89457 _cod_database_code 1510876 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z -y,x-y,z -x,-y,z -x+y,-x,z y,-x+y,z -y,-x,-z x-y,-y,-z x,x-y,-z y,x,-z -x+y,y,-z -x,-x+y,-z -x,-y,-z -x+y,-x,-z y,-x+y,-z x,y,-z x-y,x,-z -y,x-y,-z y,x,z -x+y,y,z -x,-x+y,z -y,-x,z x-y,-y,z x,x-y,z 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+1 0.5 0 0 1 0.0 Ca1 Ca+2 0 0 0.5 1 0.0 B1 B-3 0.3333 0.6667 0.5 1 0.0