#------------------------------------------------------------------------------ #$Date: 2013-05-02 23:55:07 +0300 (Thu, 02 May 2013) $ #$Revision: 84967 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/01/2310108.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2310108 loop_ _publ_author_name 'Krug, M.P.' 'Romans, P.A.' _publ_section_title ; Composition and crystallographic data for the highest boride of tungsten ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 313 _journal_page_last 315 _journal_volume 20 _journal_year 1966 _chemical_formula_sum 'B4 W' _chemical_name_systematic 'W B4' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 4 _cell_length_a 5.2 _cell_length_b 5.2 _cell_length_c 6.34 _cell_volume 148.466 _citation_journal_id_ASTM ACCRA9 _[local]_cod_data_source_file boron4-x_152.cif _[local]_cod_data_source_block B4W1 _[local]_cod_chemical_formula_sum_orig 'B4 W1' _cod_original_cell_volume 148.4659 _cod_database_code 2310108 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 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 B2 B 0.3333 0.6667 0.615 1 0.0 W1 W 0.3333 0.6667 0.25 1 0.0 W2 W 0 0 0.25 1 0.0 B1 B 0.333 0 0 1 0.0