data_global _amcsd_formula_title 'Ba6Mn24O48' loop_ _publ_author_name 'Boullay P' 'Hervieu M' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 132 _journal_year 1997 _journal_page_first 239 _journal_page_last 248 _publ_section_title ; A new manganite with an original composite tunnel structure: Ba6Mn24O48 _cod_database_code 1001810 ; _database_code_amcsd 0013934 _chemical_formula_sum 'Ba3.15 Mn12 O24' _cell_length_a 18.17299 _cell_length_b 18.17299 _cell_length_c 2.836 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 936.611 _exptl_crystal_density_diffrn 5.233 _symmetry_space_group_name_H-M 'I 4/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+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,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+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,-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 Ba1 0.00000 0.00000 0.50000 0.71000 Ba2 0.31600 0.17000 0.50000 0.61000 Mn1 0.21500 -0.00500 0.00000 1.00000 Mn2 0.37000 -0.00600 0.50000 1.00000 Mn3 0.37300 0.34700 0.00000 1.00000 O1 0.31300 0.04000 0.00000 1.00000 O2 0.11500 0.93400 0.00000 1.00000 O3 0.58800 0.06200 0.00000 1.00000 O4 0.19300 0.18300 0.00000 1.00000 O5 0.44000 0.24400 0.00000 1.00000 O6 0.56100 0.31900 0.00000 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba1 0.01000 0.01000 0.25000 0.00000 0.00000 0.00000 Ba2 0.03000 0.03000 0.29000 -0.07000 0.00000 0.00000