#------------------------------------------------------------------------------ #$Date: 2016-01-01 14:38:02 +0200 (Fri, 01 Jan 2016) $ #$Revision: 172384 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541142.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_1541142 loop_ _publ_author_name 'Prokof'ev, A.V.' 'Shelykh, A.I.' 'Golubkov, A.V.' 'Sharenkova, N.V.' _publ_section_title ; Crystal growth and optical properties of rare earth selenides ; _journal_name_full 'Neorganicheskie Materialy' _journal_page_first 342 _journal_page_last 345 _journal_volume 30 _journal_year 1994 _chemical_formula_sum 'Ce2.667 Se4' _chemical_name_systematic 'Ce2.667 Se4' _space_group_IT_number 220 _symmetry_space_group_name_Hall 'I -4bd 2c 3' _symmetry_space_group_name_H-M 'I -4 3 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.926 _cell_length_b 8.926 _cell_length_c 8.926 _cell_volume 711.165 _citation_journal_id_ASTM NMATEI _cod_data_source_file Prokofev_NMATEI_1994_1101.cif _cod_data_source_block Ce2.667Se4 _cod_original_cell_volume 711.1653 _cod_database_code 1541142 loop_ _symmetry_equiv_pos_as_xyz x,y,z y+1/4,-x+3/4,-z+1/4 -x,-y+1/2,z -y+3/4,x+3/4,-z+1/4 x,-y,-z+1/2 -y+1/4,-x+3/4,z+3/4 -x,y+1/2,-z+1/2 y+3/4,x+3/4,z+3/4 z,x,y x+1/4,-z+3/4,-y+1/4 -z,-x+1/2,y -x+3/4,z+3/4,-y+1/4 z,-x,-y+1/2 -x+1/4,-z+3/4,y+3/4 -z,x+1/2,-y+1/2 x+3/4,z+3/4,y+3/4 y,z,x y,-z,-x+1/2 -z+1/4,-y+3/4,x+3/4 -y,z+1/2,-x+1/2 z+1/4,y+1/4,x+1/4 -y+1/2,-z,x+1/2 -z+1/4,y+1/4,-x+3/4 z+3/4,-y+1/4,-x+3/4 x+1/2,y+1/2,z+1/2 y+3/4,-x+5/4,-z+3/4 -x+1/2,-y+1,z+1/2 -y+5/4,x+5/4,-z+3/4 x+1/2,-y+1/2,-z+1 -y+3/4,-x+5/4,z+5/4 -x+1/2,y+1,-z+1 y+5/4,x+5/4,z+5/4 z+1/2,x+1/2,y+1/2 x+3/4,-z+5/4,-y+3/4 -z+1/2,-x+1,y+1/2 -x+5/4,z+5/4,-y+3/4 z+1/2,-x+1/2,-y+1 -x+3/4,-z+5/4,y+5/4 -z+1/2,x+1,-y+1 x+5/4,z+5/4,y+5/4 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1 -z+3/4,-y+5/4,x+5/4 -y+1/2,z+1,-x+1 z+3/4,y+3/4,x+3/4 -y+1,-z+1/2,x+1 -z+3/4,y+3/4,-x+5/4 z+5/4,-y+3/4,-x+5/4 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 Ce1 Ce+3 0.375 0 0.25 0.889 0.0 Se1 Se-2 0.074 0.074 0.074 1 0.0