#------------------------------------------------------------------------------ #$Date: 2015-10-10 06:28:05 +0300 (Sat, 10 Oct 2015) $ #$Revision: 164696 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536821.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_1536821 loop_ _publ_author_name 'Yartys', V.A.' 'Khidirov, I.' 'Pavlenko, V.V.' _publ_section_title ; Crystal structure of deuterides Tb3Ni6Al2Dx (x=0.3,0.5) based on intermetallic Tb3Ni6Al2 with Ca3Ag8 structural type ; _journal_name_full ; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) ; _journal_page_first 428 _journal_page_last 435 _journal_volume 18 _journal_year 1992 _chemical_formula_sum 'Al2 D0.3 Ni6 Tb3' _chemical_name_systematic 'Tb3 Ni6 Al2 D0.3' _space_group_IT_number 229 _symmetry_space_group_name_Hall '-I 4 2 3' _symmetry_space_group_name_H-M 'I m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.93 _cell_length_b 8.93 _cell_length_c 8.93 _cell_volume 712.122 _citation_journal_id_ASTM KOKHDC _cod_data_source_file Yartys_KOKHDC_1992_1344.cif _cod_data_source_block D0.3Al2Ni6Tb3 _cod_chemical_formula_sum_orig 'D0.3 Al2 Ni6 Tb3' _cod_database_code 1536821 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 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+1/2 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 z+1/2,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 -z+1/2,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 z+1/2,y+1/2,-x+1/2 -y+1/2,z+1/2,-x+1/2 -z+1/2,-y+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+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+1/2 -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 -z+1/2,-x+1/2,-y+1/2 x+1/2,-z+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 -x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 -x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,y+1/2 x+1/2,z+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 -y+1/2,z+1/2,x+1/2 -z+1/2,-y+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 z+1/2,y+1/2,x+1/2 y+1/2,z+1/2,-x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+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 Al2 Al 0.25 0.25 0.25 0.8875 0.0 D2 D 0 0.437 0.188 0.016 0.0 Tb1 Tb 0.29 0 0 1 0.0 Ni2 Ni 0.25 0.25 0.25 0.1125 0.0 Al1 Al 0 0.671 0.671 0.0375 0.0 D1 D 0 0 0 0.175 0.0 Ni1 Ni 0 0.671 0.671 0.9625 0.0