#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/53/1525360.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_1525360 loop_ _publ_author_name 'Svechnikov, V.N.' 'Teslyuk, M.Yu.' 'Kocherzhinskii, Yu.A.' 'Pet'kov, V.V.' 'Dabizha, E.V.' _publ_section_title ; Three modifications of Ti Cr2 ; _journal_name_full ; Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki ; _journal_page_first 837 _journal_page_last 841 _journal_volume 1970 _journal_year 1970 _chemical_formula_sum 'Cr2 Ti' _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 8 _cell_length_a 4.932 _cell_length_b 4.932 _cell_length_c 16.01 _cell_volume 337.263 _citation_journal_id_ASTM DUKABM _cod_data_source_file Svechnikov_DUKABM_1970_1376.cif _cod_data_source_block Cr2Ti1 _cod_original_cell_volume 337.2626 _cod_original_formula_sum 'Cr2 Ti1' _cod_database_code 1525360 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 Cr1 Cr 0.3333 0.6667 0.125 1 0.0 Ti1 Ti 0 0 0.094 1 0.0 Cr2 Cr 0.5 0 0 1 0.0 Cr3 Cr 0.167 0.334 0.25 1 0.0 Ti2 Ti 0.3333 0.6667 0.844 1 0.0