data_global _amcsd_formula_title 'Nb27.2 O72 Tl8' loop_ _publ_author_name 'Dupont L' 'Hervieu M' 'Pelloquin D' 'Nowogrocki G' 'Touboul M' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 135 _journal_year 1998 _journal_page_first 282 _journal_page_last 292 _publ_section_title ; Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using TEM and single-crystal x-ray diffraction _cod_database_code 1004150 ; _database_code_amcsd 0013947 _chemical_formula_sum 'Nb4.533 O12 Tl1.333' _cell_length_a 7.534 _cell_length_b 12.992 _cell_length_c 15.555 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1522.550 _exptl_crystal_density_diffrn 5.796 _symmetry_space_group_name_H-M 'I m 2 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,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' '-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 Nb1 0.00000 0.50000 0.12210 1.00000 Nb2 0.00000 0.49200 0.37200 1.00000 Nb3 0.25380 0.24080 0.12880 1.00000 Nb4 0.23950 0.73750 0.12190 1.00000 Nb5 0.00000 0.65400 0.50000 0.47500 Nb6 0.00000 0.32850 0.00000 0.62500 Nb7 0.00000 0.32540 0.50000 0.50000 O1 0.00000 0.76800 0.10400 1.00000 O2 0.00000 0.44800 0.24600 1.00000 O3 0.18700 0.59600 0.14100 1.00000 O4 0.00000 0.50300 0.00000 1.00000 O5 0.00000 0.77100 0.39500 1.00000 O6 0.50000 0.01000 0.00000 1.00000 O7 0.20200 0.20500 0.00000 1.00000 O8 0.00000 0.20500 0.14800 1.00000 O9 0.00000 0.20400 0.35400 1.00000 O10 0.18000 0.38100 0.10600 1.00000 O11 0.18000 0.38100 0.60700 1.00000 O12 0.18400 0.59500 0.64000 1.00000 O13 0.29700 0.70500 0.00000 1.00000 O14 0.21500 0.76400 0.25200 1.00000 Tl1 0.07400 -0.00700 0.01000 0.06000 Tl2 0.02900 -0.04000 0.01000 0.08000 Tl3 0.02800 0.03020 0.00900 0.11000 Tl4 0.06700 -0.01300 0.51400 0.06000 Tl5 0.02400 -0.04120 0.50800 0.14000 Tl6 0.03700 0.02600 0.51500 0.05000 Tl7 0.03400 -0.03600 0.22700 0.05000 Tl8 0.02000 -0.01800 0.26600 0.09000 Tl9 -0.03700 0.01100 0.25160 0.36000