#------------------------------------------------------------------------------ #$Date: 2015-10-08 12:07:16 +0300 (Thu, 08 Oct 2015) $ #$Revision: 161053 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310801.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_2310801 loop_ _publ_author_name 'Corbridge, D.E.C.' _publ_section_title ; The crystal structure of sodium triphosphate, Na5 P3 O10, phase I ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 263 _journal_page_last 269 _journal_volume 13 _journal_year 1960 _chemical_formula_sum 'Na5 O10 P3' _chemical_name_systematic 'Na5 (P3 O10)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 112 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.61 _cell_length_b 5.34 _cell_length_c 19.73 _cell_volume 938.767 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Corbridge_ACCRA9_1960_1005.cif _cod_data_source_block Na5O10P3 _cod_original_cell_volume 938.7665 _cod_database_code 2310801 loop_ _symmetry_equiv_pos_as_xyz 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 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 O3 O-2 0.98 0.329 0.42 1 0.0 O4 O-2 0.035 0.79 0.405 1 0.0 O1 O-2 0.143 0.806 0.267 1 0.0 O5 O-2 0.232 0.533 0.438 1 0.0 Na2 Na+1 0.357 0.552 0.326 1 0.0 Na3 Na+1 0.258 0.965 0.429 1 0.0 P2 P+5 0.07 0.523 0.4 1 0.0 Na1 Na+1 0 0 0 1 0.0 O2 O-2 0.013 0.448 0.312 1 0.0 P1 P+5 0 0.655 0.25 1 0.0