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 1006059 ; _database_code_amcsd 0015513 _chemical_formula_sum 'Ba Tm2 Ni O5' _cell_length_a 3.75124 _cell_length_b 5.72140 _cell_length_c 11.2456 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 241.357 _exptl_crystal_density_diffrn 8.447 _symmetry_space_group_name_H-M 'I m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+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' '-x,y,z' '1/2-x,1/2+y,1/2+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' '-x,-y,z' '1/2-x,1/2-y,1/2+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 Ba1 0.50000 0.50000 0.00000 Tm1 0.50000 0.00000 0.20330 Ni1 0.00000 0.00000 0.00000 O1 0.00000 0.23990 0.14990 O2 0.50000 0.00000 0.00000