#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104132.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_8104132 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 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 5.8456 _cell_length_b 5.8456 _cell_length_c 14.3563 _cell_volume 424.846 _citation_journal_id_ASTM ZKNSFT _cod_data_source_file Plitzko_ZKNSFT_1997_1954.cif _cod_data_source_block H4F3N1Ni1 _cod_original_cell_volume 424.8459 _cod_original_formula_sum 'H4 F3 N1 Ni1' _cod_database_code 8104132 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,z 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 F2 F-1 0.8342 0.6684 0.07898 1 0.0 N2 N-3 0.3333 0.6667 0.0953 1 0.0 F1 F-1 0.5181 0.0362 0.25 1 0.0 N1 N-3 0 0 0.25 1 0.0 Ni1 Ni+2 0 0 0 1 0.0 Ni2 Ni+2 0.3333 0.6667 0.84581 1 0.0