#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/21/7222160.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_7222160 loop_ _publ_author_name 'Babizhet'sky, V.S.' 'le Fur, E.' 'Pivan, J.Y.' 'Guerin, R.' _publ_section_title ; Crystal structure of the ternary arsenide Ce Ni1.91 As1.94 ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 1359 _journal_page_last 1366 _journal_volume 57 _journal_year 2002 _chemical_formula_sum 'As1.92 Ce Ni1.91' _chemical_name_systematic 'Ce Ni1.91 As1.92' _space_group_IT_number 129 _symmetry_space_group_name_Hall '-P 4a 2a' _symmetry_space_group_name_H-M 'P 4/n m m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.112 _cell_length_b 4.112 _cell_length_c 9.601 _cell_volume 162.339 _citation_journal_id_ASTM ZNBSEN _cod_data_source_file Babizhetsky_ZNBSEN_2002_627.cif _cod_data_source_block As1.92Ce1Ni1.91 _cod_original_cell_volume 162.3389 _cod_original_formula_sum 'As1.92 Ce1 Ni1.91' _cod_database_code 7222160 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z -x+1/2,-y+1/2,z y,-x+1/2,z x+1/2,-y,-z y+1/2,x+1/2,-z -x,y+1/2,-z -y,-x,-z -x,-y,-z y-1/2,-x,-z x-1/2,y-1/2,-z -y,x-1/2,-z -x-1/2,y,z -y-1/2,-x-1/2,z x,-y-1/2,z y,x,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 As1 As 0.25 0.25 0.6329 1 0.0 As2 As 0.75 0.25 0 0.92 0.0 Ni1 Ni 0.75 0.25 0.5 1 0.0 Ce1 Ce 0.25 0.25 0.25042 1 0.0 Ni2 Ni 0.75 0.75 0.119 0.914 0.0