data_global _amcsd_formula_title 'B3 O5 Tl' loop_ _publ_author_name 'Touboul M' 'Betourne E' 'Nowogrocki G' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 131 _journal_year 1997 _journal_page_first 370 _journal_page_last 373 _publ_section_title ; Crystal structure of thallium triborate, Tl B3 O5 _cod_database_code 1004124 ; _database_code_amcsd 0013929 _chemical_formula_sum 'Tl O5 B3' _cell_length_a 5.2099 _cell_length_b 8.248 _cell_length_c 10.206 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 438.565 _exptl_crystal_density_diffrn 4.798 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Tl1 0.02784 0.27599 0.12869 O1 0.55360 0.55120 0.05760 O2 0.18310 0.72740 0.08000 O3 0.35590 0.99390 0.10770 O4 0.56520 0.77090 0.21370 O5 0.29400 0.53670 0.24560 B1 0.53900 0.93300 0.19100 B2 0.19600 0.88300 0.04100 B3 0.39700 0.65200 0.14700