#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/46/1524648.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_1524648 loop_ _publ_author_name 'Kalyana Raman, R.S.' 'Gupta, R.K.' 'Sujir, M.N.' 'Bhan, S.' _publ_section_title ; Lattice constants of B8-structure in Cu2 In - Ni2 In alloys ; _journal_name_full ; Journal of Scientific Research of the Banaras Hindu University ; _journal_page_first 95 _journal_page_last 99 _journal_volume 14 _journal_year 1964 _chemical_formula_sum 'Cu In Ni' _chemical_name_systematic '(Cu Ni) In' _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 4.224 _cell_length_b 4.224 _cell_length_c 5.208 _cell_volume 80.473 _citation_journal_id_ASTM JSRBA9 _cod_data_source_file KalyanaRaman_JSRBA9_1964_1523.cif _cod_data_source_block Cu1In1Ni1 _cod_original_cell_volume 80.47286 _cod_original_formula_sum 'Cu1 In1 Ni1' _cod_database_code 1524648 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 Ni2 Ni 0.3333 0.6667 0.75 0.5 0.0 Ni1 Ni 0 0 0 0.5 0.0 In1 In 0.3333 0.6667 0.25 1 0.0 Cu1 Cu 0 0 0 0.5 0.0 Cu2 Cu 0.3333 0.6667 0.75 0.5 0.0