data_global _amcsd_formula_title 'Bi0.775 Nd0.225 O1.5' loop_ _publ_author_name 'Drache M' 'Obbade S' 'Wignacourt J' 'Conflant P' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 142 _journal_year 1999 _journal_page_first 349 _journal_page_last 359 _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 1004137 ; _database_code_amcsd 0013961 _chemical_formula_sum 'Bi2.325 Nd.675 O4.5' _cell_length_a 3.9915 _cell_length_b 3.9915 _cell_length_c 27.463 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 378.923 _exptl_crystal_density_diffrn 8.614 _symmetry_space_group_name_H-M 'R -3 m' 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 Nd1 0.00000 0.00000 0.00000 0.67500 Bi2 0.00000 0.00000 0.22470 1.00000 O1 0.00000 0.00000 0.30300 1.00000 O2 0.00000 0.00000 0.09700 0.77000 O3 0.00000 0.00000 0.44500 0.48000