#------------------------------------------------------------------------------ #$Date: 2013-05-03 00:01:30 +0300 (Fri, 03 May 2013) $ #$Revision: 85008 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/15/1511552.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_1511552 loop_ _publ_author_name 'Jung, W.' 'Mirgel, R.' _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 'B5 Na3 Pt9' _chemical_name_systematic 'Na3 Pt9 B5' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.539 _cell_length_b 11.401 _cell_length_c 15.047 _cell_volume 950.220 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file boron4-x_190.cif _[local]_cod_data_source_block B5Na3Pt9 _cod_original_cell_volume 950.2202 _cod_database_code 1511552 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z 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 B1 B 0 0.058 0.853 1 0.0 Na1 Na 0 0.684 0.25 1 0.0 B2 B 0 0.807 0.967 1 0.0 B3 B 0 0.277 0.25 1 0.0 Pt4 Pt 0.2483 0.1841 0.92 1 0.0 Pt3 Pt 0 0.8724 0.8426 1 0.0 Na2 Na 0 0.44 0.911 1 0.0 Pt1 Pt 0 0 0 1 0.0 Pt2 Pt 0.2543 0.0856 0.75 1 0.0