#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:53:11 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149241 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527594.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_1527594 loop_ _publ_author_name 'Joensson, P.G.' 'Liminga, R.' _publ_section_title ; Hydrogen bond studies. 48. Neutron diffraction study of hydrazinium dihydrogen phosphate, N2 H5 H2 P O4 ; _journal_name_full 'Acta Chemica Scandinavica (1-27,1973-42,1988)' _journal_page_first 1729 _journal_page_last 1741 _journal_volume 25 _journal_year 1971 _chemical_formula_sum 'H7 N2 O4 P' _chemical_name_systematic 'N2 H5 H2 P O4' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.6737 _cell_length_b 7.8194 _cell_length_c 10.6338 _cell_volume 471.768 _citation_journal_id_ASTM ACSAA4 _cod_data_source_file Joensson_ACSAA4_1971_1227.cif _cod_data_source_block H7N2O4P1 _cod_original_cell_volume 471.7678 _cod_chemical_formula_sum_orig 'H7 N2 O4 P1' _cod_database_code 1527594 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-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 P1 P+5 0.09337 0.18456 0.15281 1 0.0 O2 O-2 0.1837 0.36454 0.17802 1 0.0 H4 H+1 0.5647 0.4552 0.42391 1 0.0 N2 N-2 0.45102 0.3516 0.40641 1 0.0 H2 H+1 0.4741 0.0985 0.4114 1 0.0 O4 O-2 0.2098 0.10348 0.0399 1 0.0 N1 N-2 0.59005 0.19814 0.40309 1 0.0 H3 H+1 0.3625 0.3716 0.32287 1 0.0 O3 O-2 0.1358 0.07739 0.27214 1 0.0 O1 O-2 -0.17993 0.18818 0.13642 1 0.0 H5 H+1 0.3249 0.3418 0.47804 1 0.0 H1 H+1 0.6593 0.1894 0.3166 1 0.0 H7 H+1 0.0039 -0.0161 0.29421 1 0.0 H6 H+1 -0.2346 0.268 0.06604 1 0.0