#------------------------------------------------------------------------------ #$Date: 2015-07-17 16:31:59 +0300 (Fri, 17 Jul 2015) $ #$Revision: 152177 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/91/1529114.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_1529114 loop_ _publ_author_name 'Fischer, D.' 'Schoen, J.C.' 'Cancarevic, Z.' 'Jansen, M.' _publ_section_title ; Zur Synthese und Struktur von K3 N ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 156 _journal_page_last 160 _journal_volume 630 _journal_year 2004 _chemical_formula_sum 'K3 N' _chemical_name_systematic 'K3 N' _space_group_IT_number 193 _symmetry_space_group_name_Hall '-P 6c 2' _symmetry_space_group_name_H-M 'P 63/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 7.798 _cell_length_b 7.798 _cell_length_c 7.592 _cell_volume 399.810 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Fischer_ZAACAB_2004_110.cif _cod_data_source_block K3N1 _cod_original_cell_volume 399.8097 _cod_chemical_formula_sum_orig 'K3 N1' _cod_database_code 1529114 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 x-y,-y,-z+1/2 x,x-y,-z y,x,-z+1/2 -x+y,y,-z -x,-x+y,-z+1/2 -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 -x+y,y,z-1/2 -x,-x+y,z -y,-x,z-1/2 x-y,-y,z x,x-y,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 N1 N-3 0 0 0 1 0.0 K1 K+1 0.26 0 0.25 1 0.0