data_global _amcsd_formula_title 'Ba2 Nd4 O10 Zn2' loop_ _publ_author_name 'Michel C' 'Er-Rakho L' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 42 _journal_year 1982 _journal_page_first 176 _journal_page_last 182 _publ_section_title ; Une nouvelle famille structurale: Les Oxydes Ln4-2xBa2+2xZn2-xO10-2x (Ln = La, Nd) _cod_database_code 1001182 ; _database_code_amcsd 0013474 _chemical_formula_sum '(Nd2 Ba) Zn O5' _cell_length_a 6.756 _cell_length_b 6.756 _cell_length_c 11.540 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 526.726 _exptl_crystal_density_diffrn 7.203 _symmetry_space_group_name_H-M 'I 4/m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,1/2+z' '1/2-y,1/2-x,+z' 'y,x,1/2-z' '1/2+y,1/2+x,-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,1/2+z' '1/2+y,1/2+x,+z' '-y,-x,1/2-z' '1/2-y,1/2-x,-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd1 0.00000 0.00000 0.25000 0.50000 Ba1 0.00000 0.00000 0.25000 0.50000 Nd2 0.17110 0.67110 0.00000 0.75000 Ba2 0.17110 0.67110 0.00000 0.25000 Zn1 0.00000 0.50000 0.25000 1.00000 O1 0.00000 0.00000 0.00000 1.00000 O2 0.35200 0.85200 0.13500 1.00000