data_global _amcsd_formula_title 'TlB5O8' loop_ _publ_author_name 'Touboul M' 'Nowogrocki G' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 136 _journal_year 1998 _journal_page_first 216 _journal_page_last 220 _publ_section_title ; Dehydration process of TlB5O6(OH)4*2(H2O) and crystal structure of TlB5O8 _cod_database_code 1004151 ; _database_code_amcsd 0013949 _chemical_formula_sum 'Tl O8 B5' _cell_length_a 7.557 _cell_length_b 11.925 _cell_length_c 14.734 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1327.787 _exptl_crystal_density_diffrn 3.866 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Tl1 0.06591 0.20798 0.12226 O1 0.42030 0.29440 0.07360 O2 0.67680 0.17920 0.06400 O3 0.90360 0.49040 0.09210 O4 0.48740 0.46370 0.15080 O5 0.44530 0.13500 0.17240 O6 0.63130 0.29370 0.19660 O7 0.30020 0.46890 0.02350 O8 0.11190 0.44330 0.20310 B1 0.57970 0.39950 0.21290 B2 0.54720 0.22610 0.12650 B3 0.69170 0.07040 0.04450 B4 0.40330 0.40600 0.08130 B5 0.47750 0.02590 0.15650