#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:52:53 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149240 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106349.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_2106349 loop_ _publ_author_name 'Joensson, P.G.' 'Hamilton, W.C.' _publ_section_title ; Neutron and X-ray diffraction studies of hydrazinium sulfate, N2 H6 S O4 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 536 _journal_page_last 546 _journal_volume 26 _journal_year 1970 _chemical_formula_sum 'H6 N2 O4 S' _chemical_name_systematic '(N2 H6) (S 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 8.251 _cell_length_b 9.159 _cell_length_c 5.532 _cell_volume 418.058 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Joensson_ACBCAR_1970_1805.cif _cod_data_source_block H6N2O4S1 _cod_original_cell_volume 418.0583 _cod_chemical_formula_sum_orig 'H6 N2 O4 S1' _cod_database_code 2106349 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 H1 H+1 0.0776 0.3574 0.6141 1 0.0 O3 O-2 -0.16308 0.19281 0.19338 1 0.0 H2 H+1 0.0112 0.4235 0.8876 1 0.0 H3 H+1 0.0512 0.2398 0.8509 1 0.0 O4 O-2 -0.13238 -0.08091 0.17444 1 0.0 H4 H+1 -0.1591 0.2329 0.5698 1 0.0 H6 H+1 -0.2209 0.2969 0.8281 1 0.0 N1 N-2 0.00953 0.33392 0.76654 1 0.0 H5 H+1 -0.1916 0.4026 0.61 1 0.0 O2 O-2 0.02541 0.07221 0.45427 1 0.0 N2 N-2 -0.15386 0.31239 0.69043 1 0.0 S1 S+6 -0.05125 0.06917 0.21345 1 0.0 O1 O-2 0.07963 0.08617 0.0278 1 0.0