#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532899.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_1532899 loop_ _publ_author_name 'Mitchell, K.' 'Somers, R.C.' 'Huang Fuqiang' 'Ibers, J.A.' _publ_section_title ; Syntheses, structure and magnetic properties of several Ln Yb Q3 chalcogenides, Q = S, Se ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 709 _journal_page_last 713 _journal_volume 177 _journal_year 2004 _chemical_formula_sum 'Ce Se3 Yb' _chemical_name_systematic 'Ce Yb Se3' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.0234 _cell_length_b 13.065 _cell_length_c 9.885 _cell_volume 519.612 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Mitchell_JSSCBI_2004_1857.cif _cod_data_source_block Ce1Se3Yb1 _cod_original_cell_volume 519.6121 _cod_original_formula_sum 'Ce1 Se3 Yb1' _cod_database_code 1532899 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z-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 Yb1 Yb+3 0 0 0 1 0.0 Ce1 Ce+3 0 0.74821 0.25 1 0.0 Se2 Se-2 0 0.08601 0.25 1 0.0 Se1 Se-2 0 0.35619 0.06245 1 0.0