#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/40/1534026.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_1534026 loop_ _publ_author_name 'Ploog, K.' 'Kossobutzki, K.H.' 'Amberger, E.' 'Schmidt, H.' 'Will, G.' _publ_section_title ; B48 B2 C2 und B48 B2 N2, zwei Nichtmetallboride mit der Struktur des sog. I Tetragonalen Bors ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 161 _journal_page_last 169 _journal_volume 29 _journal_year 1972 _chemical_formula_sum 'C2 B18' _chemical_name_systematic 'B48 B2 C2' _space_group_IT_number 134 _symmetry_space_group_name_Hall 'P 4n 2 -1n' _symmetry_space_group_name_H-M 'P 42/n n m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 8.722 _cell_length_b 8.722 _cell_length_c 5.08 _cell_volume 386.452 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Ploog_JCOMAH_1972_58.cif _cod_data_source_block B18C2 _cod_original_cell_volume 386.4523 _cod_original_sg_symbol_Hall '-P 4ac 2bc (x-1/4,y+1/4,z-1/4)' _cod_chemical_formula_sum_orig 'B18 C2' _cod_database_code 1534026 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x,-y,-z y+1/2,x+1/2,-z+1/2 -x,y,-z -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y,-x,-z x+1/2,y+1/2,-z+1/2 -y,x,-z -x+1/2,y+1/2,z+1/2 -y,-x,z x+1/2,-y+1/2,z+1/2 y,x,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 C1 C 0 0 0.5 1 0.0 B3 B 0 0 0 1 0.0 B1 B 0.433 0 0 1 0.0 B2 B 0 0.5 0.8557 1 0.0