#------------------------------------------------------------------------------ #$Date: 2015-07-17 16:27:07 +0300 (Fri, 17 Jul 2015) $ #$Revision: 152170 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/91/1529107.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_1529107 loop_ _publ_author_name 'Daidouh, A.' 'Almontassir, A.' 'Veiga, M.L.' 'Pico, C.' 'Hanebali, L.' 'Abboudi, M.' _publ_section_title ; Structural and electrical behaviour of the pyrochlores: Sm2-x Mx Ti2 O7-x/2 (M = Mg, Co, Ni) ; _journal_name_full 'Solid State Sciences' _journal_page_first 71 _journal_page_last 76 _journal_volume 6 _journal_year 2004 _chemical_formula_sum 'Co0.35 O6.825 Sm1.65 Ti2' _chemical_name_systematic '(Sm1.65 Co0.35) (Ti2 O6.825)' _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.199 _cell_length_b 10.199 _cell_length_c 10.199 _cell_volume 1060.896 _citation_journal_id_ASTM SSSCFJ _cod_data_source_file Daidouh_SSSCFJ_2004_103.cif _cod_data_source_block Co0.35O6.825Sm1.65Ti2 _cod_database_code 1529107 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/4,z+1/4 -x+3/4,-y+1/4,z+1/2 y+3/4,-x,z+3/4 x,-y+1/4,-z+1/4 y+3/4,x+1/4,-z+1/2 -x+3/4,y,-z+3/4 -y,-x,-z z,x,y -x,z+1/4,y+1/4 -z+3/4,-x+1/4,y+1/2 x+3/4,-z,y+3/4 z,-x+1/4,-y+1/4 x+3/4,z+1/4,-y+1/2 -z+3/4,x,-y+3/4 -x,-z,-y y,z,x y+1/2,-z+3/4,-x+1/4 z+1/4,y+3/4,-x+1/2 -y+1/4,z+1/2,-x+3/4 -z,-y+1/2,-x+1/2 -y+1/4,-z+1/4,x z+1/4,-y,x+1/4 -z+1/2,y+1/4,x+3/4 -x,-y,-z y,-x-1/4,-z-1/4 x-3/4,y-1/4,-z-1/2 -y-3/4,x,-z-3/4 -x,y-1/4,z-1/4 -y-3/4,-x-1/4,z-1/2 x-3/4,-y,z-3/4 y,x,z -z,-x,-y x,-z-1/4,-y-1/4 z-3/4,x-1/4,-y-1/2 -x-3/4,z,-y-3/4 -z,x-1/4,y-1/4 -x-3/4,-z-1/4,y-1/2 z-3/4,-x,y-3/4 x,z,y -y,-z,-x -y-1/2,z-3/4,x-1/4 -z-1/4,-y-3/4,x-1/2 y-1/4,-z-1/2,x-3/4 z,y-1/2,x-1/2 y-1/4,z-1/4,-x -z-1/4,y,-x-1/4 z-1/2,-y-1/4,-x-3/4 x,y+1/2,z+1/2 -y,x+3/4,z+3/4 -x+3/4,-y+3/4,z+1 y+3/4,-x+1/2,z+5/4 x,-y+3/4,-z+3/4 y+3/4,x+3/4,-z+1 -x+3/4,y+1/2,-z+5/4 -y,-x+1/2,-z+1/2 z,x+1/2,y+1/2 -x,z+3/4,y+3/4 -z+3/4,-x+3/4,y+1 x+3/4,-z+1/2,y+5/4 z,-x+3/4,-y+3/4 x+3/4,z+3/4,-y+1 -z+3/4,x+1/2,-y+5/4 -x,-z+1/2,-y+1/2 y,z+1/2,x+1/2 y+1/2,-z+5/4,-x+3/4 z+1/4,y+5/4,-x+1 -y+1/4,z+1,-x+5/4 -z,-y+1,-x+1 -y+1/4,-z+3/4,x+1/2 z+1/4,-y+1/2,x+3/4 -z+1/2,y+3/4,x+5/4 -x,-y+1/2,-z+1/2 y,-x+1/4,-z+1/4 x-3/4,y+1/4,-z -y-3/4,x+1/2,-z-1/4 -x,y+1/4,z+1/4 -y-3/4,-x+1/4,z x-3/4,-y+1/2,z-1/4 y,x+1/2,z+1/2 -z,-x+1/2,-y+1/2 x,-z+1/4,-y+1/4 z-3/4,x+1/4,-y -x-3/4,z+1/2,-y-1/4 -z,x+1/4,y+1/4 -x-3/4,-z+1/4,y z-3/4,-x+1/2,y-1/4 x,z+1/2,y+1/2 -y,-z+1/2,-x+1/2 -y-1/2,z-1/4,x+1/4 -z-1/4,-y-1/4,x y-1/4,-z,x-1/4 z,y,x y-1/4,z+1/4,-x+1/2 -z-1/4,y+1/2,-x+1/4 z-1/2,-y+1/4,-x-1/4 x+1/2,y,z+1/2 -y+1/2,x+1/4,z+3/4 -x+5/4,-y+1/4,z+1 y+5/4,-x,z+5/4 x+1/2,-y+1/4,-z+3/4 y+5/4,x+1/4,-z+1 -x+5/4,y,-z+5/4 -y+1/2,-x,-z+1/2 z+1/2,x,y+1/2 -x+1/2,z+1/4,y+3/4 -z+5/4,-x+1/4,y+1 x+5/4,-z,y+5/4 z+1/2,-x+1/4,-y+3/4 x+5/4,z+1/4,-y+1 -z+5/4,x,-y+5/4 -x+1/2,-z,-y+1/2 y+1/2,z,x+1/2 y+1,-z+3/4,-x+3/4 z+3/4,y+3/4,-x+1 -y+3/4,z+1/2,-x+5/4 -z+1/2,-y+1/2,-x+1 -y+3/4,-z+1/4,x+1/2 z+3/4,-y,x+3/4 -z+1,y+1/4,x+5/4 -x+1/2,-y,-z+1/2 y+1/2,-x-1/4,-z+1/4 x-1/4,y-1/4,-z -y-1/4,x,-z-1/4 -x+1/2,y-1/4,z+1/4 -y-1/4,-x-1/4,z x-1/4,-y,z-1/4 y+1/2,x,z+1/2 -z+1/2,-x,-y+1/2 x+1/2,-z-1/4,-y+1/4 z-1/4,x-1/4,-y -x-1/4,z,-y-1/4 -z+1/2,x-1/4,y+1/4 -x-1/4,-z-1/4,y z-1/4,-x,y-1/4 x+1/2,z,y+1/2 -y+1/2,-z,-x+1/2 -y,z-3/4,x+1/4 -z+1/4,-y-3/4,x y+1/4,-z-1/2,x-1/4 z+1/2,y-1/2,x y+1/4,z-1/4,-x+1/2 -z+1/4,y,-x+1/4 z,-y-1/4,-x-1/4 x+1/2,y+1/2,z -y+1/2,x+3/4,z+1/4 -x+5/4,-y+3/4,z+1/2 y+5/4,-x+1/2,z+3/4 x+1/2,-y+3/4,-z+1/4 y+5/4,x+3/4,-z+1/2 -x+5/4,y+1/2,-z+3/4 -y+1/2,-x+1/2,-z z+1/2,x+1/2,y -x+1/2,z+3/4,y+1/4 -z+5/4,-x+3/4,y+1/2 x+5/4,-z+1/2,y+3/4 z+1/2,-x+3/4,-y+1/4 x+5/4,z+3/4,-y+1/2 -z+5/4,x+1/2,-y+3/4 -x+1/2,-z+1/2,-y y+1/2,z+1/2,x y+1,-z+5/4,-x+1/4 z+3/4,y+5/4,-x+1/2 -y+3/4,z+1,-x+3/4 -z+1/2,-y+1,-x+1/2 -y+3/4,-z+3/4,x z+3/4,-y+1/2,x+1/4 -z+1,y+3/4,x+3/4 -x+1/2,-y+1/2,-z y+1/2,-x+1/4,-z-1/4 x-1/4,y+1/4,-z-1/2 -y-1/4,x+1/2,-z-3/4 -x+1/2,y+1/4,z-1/4 -y-1/4,-x+1/4,z-1/2 x-1/4,-y+1/2,z-3/4 y+1/2,x+1/2,z -z+1/2,-x+1/2,-y x+1/2,-z+1/4,-y-1/4 z-1/4,x+1/4,-y-1/2 -x-1/4,z+1/2,-y-3/4 -z+1/2,x+1/4,y-1/4 -x-1/4,-z+1/4,y-1/2 z-1/4,-x+1/2,y-3/4 x+1/2,z+1/2,y -y+1/2,-z+1/2,-x -y,z-1/4,x-1/4 -z+1/4,-y-1/4,x-1/2 y+1/4,-z,x-3/4 z+1/2,y,x-1/2 y+1/4,z+1/4,-x -z+1/4,y+1/2,-x-1/4 z,-y+1/4,-x-3/4 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 Sm1 Sm+3 0.5 0.5 0.5 0.825 0.0 O2 O-2 0.375 0.375 0.375 0.975 0.0 O1 O-2 0.321 0.125 0.125 0.975 0.0 Ti1 Ti+4 0 0 0 1 0.0 Co1 Co+2 0.5 0.5 0.5 0.175 0.0