data_global _amcsd_formula_title 'Ba Ni O5 Tm2' loop_ _publ_author_name 'Garcia-Matres E' 'Rodriguez-Carvajal J' 'Martinez J' 'Alonso J' 'Salinas-Sanchez A' 'Saez-Puche R' _journal_name_full 'Solid State Ionics' _journal_volume 63 _journal_year 1993 _journal_page_first 915 _journal_page_last 921 _publ_section_title ; Polymorphism in the oxides R2NaNiO5 (R= Tm, Yb, Lu) _cod_database_code 1006061 ; _database_code_amcsd 0015515 _chemical_formula_sum 'Ba Tm2 Ni O5' _cell_length_a 12.2003 _cell_length_b 5.6585 _cell_length_c 6.9744 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 481.480 _exptl_crystal_density_diffrn 8.469 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.90350 0.25000 0.92430 Tm1 0.29180 0.25000 0.12440 Tm2 0.07550 0.25000 0.39970 Ni1 0.65610 0.25000 0.69530 O1 0.43560 -0.00420 0.17030 O2 0.22539 0.49890 0.36410 O3 0.10330 0.25000 0.07650