#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/30/1533053.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_1533053 loop_ _publ_author_name 'Reynolds, T.K.' 'DiSalvo, F.J.' 'Kelley, R.F.' _publ_section_title ; Electronic transport and magnetic properties of a new nickel antimonide telluride, Ni2 Sb Te2 ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 136 _journal_page_last 144 _journal_volume 366 _journal_year 2004 _chemical_formula_sum 'Ni2 Sb Te2' _chemical_name_systematic 'Ni2 Sb Te2' _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 2 _cell_length_a 3.903 _cell_length_b 3.903 _cell_length_c 15.634 _cell_volume 206.252 _citation_journal_id_ASTM JALCEU _cod_data_source_file Reynolds_JALCEU_2004_1383.cif _cod_data_source_block Ni2Sb1Te2 _cod_original_cell_volume 206.2519 _cod_original_formula_sum 'Ni2 Sb1 Te2' _cod_database_code 1533053 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 Sb1 Sb 0.3333 0.6667 0.25 1 0.0 Te1 Te 0.3333 0.6667 0.58729 1 0.0 Ni1 Ni 0 0 0.1658 1 0.0