data_global _amcsd_formula_title 'TlNb2U2O11.5' loop_ _publ_author_name 'Gasperin M' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 67 _journal_year 1987 _journal_page_first 219 _journal_page_last 224 _publ_section_title ; Synthese et structure de trois niobouranates d'ions monovalents: TlNb2U2O11.5, KNbUO6, et RbNbUO6 _cod_database_code 1001355 ; _database_code_amcsd 0013597 _chemical_formula_sum 'U Nb Tl.5 O5.75' _cell_length_a 7.713 _cell_length_b 10.329 _cell_length_c 13.947 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1111.124 _exptl_crystal_density_diffrn 6.278 _symmetry_space_group_name_H-M 'P m n b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 U1 0.25000 0.20460 0.21050 1.00000 U2 0.25000 0.83530 0.76120 1.00000 Nb1 0.49920 0.46090 0.10900 1.00000 Tl1 0.02000 0.86850 0.04180 0.50000 O1 0.25000 0.10890 0.10450 1.00000 O2 0.25000 0.40470 0.11780 1.00000 O3 0.25000 0.43430 0.63560 1.00000 O4 0.53060 0.29030 0.17150 1.00000 O5 0.25000 0.50200 0.85900 1.00000 O6 0.25000 0.23210 0.83860 1.00000 O7 0.25000 0.80130 0.18550 1.00000 O8 0.03490 0.57910 0.21950 1.00000 O9 0.05050 0.61330 0.01970 0.75000