#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/42/1534292.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_1534292 loop_ _publ_author_name 'Boller, H.' _publ_section_title ; Komplexcarbide und -nitride mit aufgefuelltem U3 Si - Typ ; _journal_name_full 'Monatshefte fuer Chemie (-108,1977)' _journal_page_first 2444 _journal_page_last 2449 _journal_volume 99 _journal_year 1968 _chemical_formula_sum 'As Cr3 N' _chemical_name_systematic 'Cr3 As N' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.36 _cell_length_b 5.36 _cell_length_c 8.066 _cell_volume 231.733 _citation_journal_id_ASTM MOCHAP _cod_data_source_file Boller_MOCHAP_1968_957.cif _cod_data_source_block As1Cr3N1 _cod_original_formula_sum 'As1 Cr3 N1' _cod_database_code 1534292 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,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 N1 N 0 0 0 1 0.0 As1 As 0 0.5 0.25 1 0.0 Cr1 Cr 0.185 0.685 0 1 0.0 Cr2 Cr 0 0 0.25 1 0.0