#------------------------------------------------------------------------------ #$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $ #$Revision: 292002 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/50/9015041.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9015041 loop_ _publ_author_name 'Drache, M.' 'Obbade, S.' 'Wignacourt, J.' 'Conflant, P.' _publ_section_title ; Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5 oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with rhombohedral Bi-Sr-O type _cod_database_code 1004138 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 349 _journal_page_last 359 _journal_paper_doi 10.1006/jssc.1998.8043 _journal_volume 142 _journal_year 1999 _chemical_formula_sum 'Bi2.325 O4.5 Sm0.675' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.9783 _cell_length_b 3.9783 _cell_length_c 27.39099 _cell_formula_units_Z 3 _cell_volume 375.434 _database_code_amcsd 0013962 _exptl_crystal_density_diffrn 8.749 _cod_duplicate_entry 1004138 _cod_original_sg_symbol_H-M 'R -3 m' _cod_original_formula_sum 'Bi2.325 Sm.675 O4.5' _cod_database_code 9015041 _amcsd_formula_title 'Bi0.775 O1.5 Sm0.225' loop_ _space_group_symop_operation_xyz x,y,z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z x,x-y,z 2/3+x,1/3+x-y,1/3+z 1/3+x,2/3+x-y,2/3+z y,x,-z 2/3+y,1/3+x,1/3-z 1/3+y,2/3+x,2/3-z -x+y,y,z 2/3-x+y,1/3+y,1/3+z 1/3-x+y,2/3+y,2/3+z -x,-x+y,-z 2/3-x,1/3-x+y,1/3-z 1/3-x,2/3-x+y,2/3-z -y,-x,z 2/3-y,1/3-x,1/3+z 1/3-y,2/3-x,2/3+z x-y,-y,-z 2/3+x-y,1/3-y,1/3-z 1/3+x-y,2/3-y,2/3-z y,-x+y,-z 2/3+y,1/3-x+y,1/3-z 1/3+y,2/3-x+y,2/3-z -x+y,-x,z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z -x,-y,-z 2/3-x,1/3-y,1/3-z 1/3-x,2/3-y,2/3-z -y,x-y,z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z x-y,x,-z 2/3+x-y,1/3+x,1/3-z 1/3+x-y,2/3+x,2/3-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.00000 0.00000 0.00000 0.32500 Sm1 0.00000 0.00000 0.00000 0.67500 Bi2 0.00000 0.00000 0.22480 1.00000 O1 0.00000 0.00000 0.30500 1.00000 O2 0.00000 0.00000 0.09300 0.70000 O3 0.00000 0.00000 0.44500 0.55000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0013962