#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104131.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_8104131 loop_ _publ_author_name 'Plitzko, C.' 'Strecker, M.' 'Meyer, G.' _publ_section_title ; Crystal structure of two modifications of ammonium trifluoro nickelate(II), N H4 Ni F3 ; _journal_name_full ; Zeitschrift fuer Kristallographie - New Crystal Structures ; _journal_page_first 3 _journal_page_last 4 _journal_volume 212 _journal_year 1997 _chemical_formula_sum 'F3 H4 N Ni' _chemical_name_systematic '(N H4) (Ni F3)' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.088 _cell_length_b 4.088 _cell_length_c 4.088 _cell_volume 68.318 _citation_journal_id_ASTM ZKNSFT _cod_data_source_file Plitzko_ZKNSFT_1997_1953.cif _cod_data_source_block H4F3N1Ni1 _cod_original_cell_volume 68.3176 _cod_original_formula_sum 'H4 F3 N1 Ni1' _cod_database_code 8104131 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-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 F1 F-1 0.5 0.5 0 1 0.0 N1 N-3 0 0 0 1 0.0 Ni1 Ni+2 0.5 0.5 0.5 1 0.0