#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511561.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_1511561 loop_ _publ_author_name 'Jung, W.' _publ_section_title ; An Rh 3n-1 B2n 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 'B4 Ca2 Rh5' _chemical_name_systematic 'Ca2 Rh5 B4' _space_group_IT_number 69 _symmetry_space_group_name_Hall '-F 2 2' _symmetry_space_group_name_H-M 'F m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.46 _cell_length_b 9.727 _cell_length_c 11.22 _cell_volume 595.888 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file boron4-x_20.cif _[local]_cod_data_source_block B4Ca2Rh5 _cod_original_cell_volume 595.8877 _cod_database_code 1511561 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 x,-y+1/2,-z+1/2 -x,y+1/2,-z+1/2 -x,-y+1/2,-z+1/2 x,y+1/2,-z+1/2 -x,y+1/2,z+1/2 x,-y+1/2,z+1/2 x+1/2,y,z+1/2 -x+1/2,-y,z+1/2 x+1/2,-y,-z+1/2 -x+1/2,y,-z+1/2 -x+1/2,-y,-z+1/2 x+1/2,y,-z+1/2 -x+1/2,y,z+1/2 x+1/2,-y,z+1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z -x+1/2,y+1/2,z x+1/2,-y+1/2,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 B1 B-3 0 0.3396 0.1299 1 0.0 Rh1 Rh+1 0.25 0.25 0.25 1 0.0 Rh3 Rh+1 0 0 0.5 1 0.0 Ca1 Ca+2 0 0 0.1424 1 0.0 Rh2 Rh+1 0.25 0.25 0 1 0.0 _journal_paper_doi 10.1016/0022-5088(84)90030-4