#------------------------------------------------------------------------------ #$Date: 2013-05-02 22:40:44 +0300 (Thu, 02 May 2013) $ #$Revision: 84631 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/12/1511249.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_1511249 loop_ _publ_author_name 'Mirgel, R.' 'Jung, W.' _publ_section_title ; The ternary alkali metal platinum borides Li Pt3 B, Na Pt3 B(1+x) and Na3 Pt9 B5 -new structure variants of the Ce Co3 B2 type ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 87 _journal_page_last 99 _journal_volume 144 _journal_year 1988 _chemical_formula_sum 'B Na Pt3' _chemical_name_systematic 'Na Pt3 B' _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 2 _cell_length_a 5.547 _cell_length_b 5.547 _cell_length_c 5.504 _cell_volume 146.665 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file boron0-1_369.cif _[local]_cod_data_source_block B1Na1Pt3 _[local]_cod_chemical_formula_sum_orig 'B1 Na1 Pt3' _cod_original_cell_volume 146.6646 _cod_database_code 1511249 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 B1 B 0.3333 0.6667 0.5 1 0.0 Pt1 Pt 0.5 0 0.2422 1 0.0 Na1 Na 0 0 0 1 0.0 Na2 Na 0 0 0.5 1 0.0