#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/66/2106699.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_2106699 loop_ _publ_author_name 'Larsen, M.L.' 'Willett, R.D.' _publ_section_title ; Tetrasodium imidodiphosphate decahydrate ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 522 _journal_page_last 524 _journal_volume 30 _journal_year 1974 _chemical_formula_sum 'H21 N Na4 O16 P2' _chemical_name_systematic 'Na4 P O3 N H P O3 (H2 O)10' _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 110.34 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 17.0689 _cell_length_b 6.905 _cell_length_c 14.752 _cell_volume 1630.269 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Larsen_ACBCAR_1974_1981.cif _cod_data_source_block H21N1Na4O16P2 _cod_original_formula_sum 'H21 N1 Na4 O16 P2' _cod_database_code 2106699 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 O2 O-2 0.0844 0.1127 0.4249 1 0.0 Na1 Na+1 0.2395 0.6916 0.6071 1 0.0 N1 N-3 0 0.1621 0.25 1 0.0 P1 P+5 0.0674 0.2688 0.348 1 0.0 O8 O-2 0.4156 0.3863 0.389 1 0.0 O6 O-2 0.2311 0.0902 0.2515 1 0.0 O7 O-2 0.3914 0.2717 0.1619 1 0.0 Na2 Na+1 0.385 0.9103 0.7967 1 0.0 O1 O-2 0.0249 0.447 0.3707 1 0.0 O3 O-2 0.1448 0.3279 0.3265 1 0.0 O4 O-2 0.1009 0.3943 0.0556 1 0.0 O5 O-2 0.243 0.0172 0.0226 1 0.0