#------------------------------------------------------------------------------ #$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176466 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/34/8103467.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_8103467 loop_ _publ_author_name 'Somer, M.' 'Peters, K.' 'Popp, T.' 'von Schnering, H.G.' _publ_section_title ; Crystal structure of sodium diphosphidoborate ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 281 _journal_page_last 282 _journal_volume 193 _journal_year 1990 _chemical_formula_sum 'B Na3 P2' _chemical_name_systematic 'Na3 (B P2)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 111.03 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.9947 _cell_length_b 9.2789 _cell_length_c 9.159 _cell_volume 554.853 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file boron0-1_372.cif _cod_data_source_block B1Na3P2 _cod_original_cell_volume 554.8531 _cod_original_formula_sum 'B1 Na3 P2' _cod_database_code 8103467 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-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 Na1 Na+1 -0.26386 0.78671 0.31759 1 0.0 Na3 Na+1 0.77839 0.02737 0.61147 1 0.0 P2 P-3 0.44612 0.56208 0.23144 1 0.0 B1 B+3 0.2244 0.6712 0.18216 1 0.0 Na2 Na+1 0.75637 0.43062 0.52174 1 0.0 P1 P-3 -0.00196 0.77498 0.13551 1 0.0