#------------------------------------------------------------------------------ #$Date: 2015-07-13 05:12:35 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149351 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/63/2106365.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_2106365 loop_ _publ_author_name 'Kojic-Prodic, B.' 'Matkovic, B.' 'Scavnicar, S.' _publ_section_title ; The crystal structure of hydrazinium(+2) hexafluorotitanate(IV), N2 H6 Ti F6 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 635 _journal_page_last 637 _journal_volume 27 _journal_year 1971 _chemical_formula_sum 'F6 H6 N2 Ti' _chemical_name_systematic '(N2 H6) (Ti F6)' _space_group_IT_number 206 _symmetry_space_group_name_Hall '-I 2b 2c 3' _symmetry_space_group_name_H-M 'I a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.404 _cell_length_b 10.404 _cell_length_c 10.404 _cell_volume 1126.162 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Kojic-Prodic_ACBCAR_1971_928.cif _cod_data_source_block H6F6N2Ti1 _cod_chemical_formula_sum_orig 'H6 F6 N2 Ti1' _cod_database_code 2106365 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y+1/2,z x,-y,-z+1/2 -x,y+1/2,-z+1/2 z,x,y -z,-x+1/2,y z,-x,-y+1/2 -z,x+1/2,-y+1/2 y,z,x y,-z,-x+1/2 -y,z+1/2,-x+1/2 -y+1/2,-z,x+1/2 -x,-y,-z x,y-1/2,-z -x,y,z-1/2 x,-y-1/2,z-1/2 -z,-x,-y z,x-1/2,-y -z,x,y-1/2 z,-x-1/2,y-1/2 -y,-z,-x -y,z,x-1/2 y,-z-1/2,x-1/2 y-1/2,z,-x-1/2 x+1/2,y+1/2,z+1/2 -x+1/2,-y+1,z+1/2 x+1/2,-y+1/2,-z+1 -x+1/2,y+1,-z+1 z+1/2,x+1/2,y+1/2 -z+1/2,-x+1,y+1/2 z+1/2,-x+1/2,-y+1 -z+1/2,x+1,-y+1 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1 -y+1/2,z+1,-x+1 -y+1,-z+1/2,x+1 -x+1/2,-y+1/2,-z+1/2 x+1/2,y,-z+1/2 -x+1/2,y+1/2,z x+1/2,-y,z -z+1/2,-x+1/2,-y+1/2 z+1/2,x,-y+1/2 -z+1/2,x+1/2,y z+1/2,-x,y -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x y+1/2,-z,x y,z+1/2,-x 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 Ti1 Ti+4 0 0 0 1 0.0 F1 F-1 0.3923 0.1303 0.0566 1 0.0 N1 N-2 0.2091 0.2091 0.2091 1 0.0