data_global _amcsd_formula_title 'Nb O9 Rb Ti3' loop_ _publ_author_name 'Hervieu M' 'Desgardin G' 'Raveau B' _journal_name_full 'Annales de Chimie' _journal_volume 1979 _journal_year 1979 _journal_page_first 339 _journal_page_last 346 _publ_section_title ; Titanoniobates et Titanotantalates avec une structure a tunnels: les oxydes A Ti3 M O9 et (A2 Ti6 O13)n * A Ti3 M O9 _cod_database_code 1001201 ; _database_code_amcsd 0012019 _chemical_formula_sum 'Rb (Ti3 Nb) O9' _cell_length_a 6.407 _cell_length_b 3.797 _cell_length_c 14.918 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 362.916 _exptl_crystal_density_diffrn 4.264 _symmetry_space_group_name_H-M 'P n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,1/2+y,1/2+z' 'x,1/2-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Rb1 0.21290 0.75000 0.25000 1.00000 Ti1 0.31150 0.25000 0.04420 0.75000 Ti2 0.75430 0.25000 0.12730 0.75000 Nb1 0.31150 0.25000 0.04420 0.25000 Nb2 0.75430 0.25000 0.12730 0.25000 O1 0.66080 0.25000 0.52180 1.00000 O2 0.22310 0.25000 0.59960 1.00000 O3 0.43080 0.25000 0.15000 1.00000 O4 0.02950 0.25000 0.08360 1.00000 O5 0.83400 0.25000 0.25000 1.00000