#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:56:56 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149257 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/04/2310417.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_2310417 loop_ _publ_author_name 'Jost, K.H.' _publ_section_title ; Die Struktur des Kurrol'schen Na-Salzes (Na P O3x, Typ A ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 844 _journal_page_last 847 _journal_volume 14 _journal_year 1961 _chemical_formula_sum 'Na O3 P' _chemical_name_systematic 'Na (P O3)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 92 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 12.12 _cell_length_b 6.2 _cell_length_c 6.99 _cell_volume 524.937 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Jost_ACCRA9_1961_1458.cif _cod_data_source_block Na1O3P1 _cod_cif_authors_sg_Hall '-P 2ybc (x-z,y,z)' _cod_original_cell_volume 524.9365 _cod_chemical_formula_sum_orig 'Na1 O3 P1' _cod_database_code 2310417 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-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 O6 O-2 0.056 0.978 0.314 1 0.0 P1 P+5 0.215 0.362 0.489 1 0.0 O1 O-2 0.228 0.215 0.654 1 0.0 O3 O-2 0.12 0.512 0.499 1 0.0 Na2 Na+1 0.006 0.379 0.764 1 0.0 O4 O-2 0.173 0.987 0.021 1 0.0 O2 O-2 0.217 0.231 0.286 1 0.0 O5 O-2 0.042 0.29 0.087 1 0.0 Na1 Na+1 0.13 0.87 0.629 1 0.0 P2 P+5 0.111 0.125 0.182 1 0.0