#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/17/1511724.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_1511724 loop_ _publ_author_name 'Yu, Y.' 'Lundstroem, T.' _publ_section_title ; Synthesis and structure investigation of the new ternary boride (Cr0.80 W0.20)3 B4 and its analogues (Cr1-x TMx)3 B4 with TM = Mo or Ta ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 122 _journal_page_last 126 _journal_paper_doi 10.1016/0925-8388(95)01896-4 _journal_volume 228 _journal_year 1995 _chemical_formula_sum 'B4 Cr2.4 W0.6' _chemical_name_systematic '(Cr0.8 W0.2)3 B4' _space_group_IT_number 71 _symmetry_space_group_name_Hall '-I 2 2' _symmetry_space_group_name_H-M 'I m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.07 _cell_length_b 13.193 _cell_length_c 2.984 _cell_volume 120.859 _citation_journal_id_ASTM JALCEU _cod_data_source_file boron4-x_47.cif _cod_data_source_block B4Cr2.4W0.6 _cod_original_cell_volume 120.8595 _cod_database_code 1511724 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+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-y+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 Cr2 Cr+3 0.5 0.5 0 0.8 0.0 B2 B-2 0 0.4336 0.5 1 0.0 W1 W+6 0 0.1865 0 0.2 0.0 Cr1 Cr+3 0 0.1865 0 0.8 0.0 B1 B-2 0 0.3618 0 1 0.0 W2 W+6 0.5 0.5 0 0.2 0.0