data_global _chemical_name_mineral 'Lithiotantite' loop_ _publ_author_name 'Menezes L A D' 'Yang H' 'Downs R T' 'Chaves M L S C' 'Persiano A C' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 68 _journal_year 2012 _journal_page_first i27 _journal_page_last i28 _publ_section_title ; Lithiotantite, ideally LiTa3O8 ; _database_code_amcsd 0018780 _chemical_compound_source 'Murundu mine, the Jenipapo District, Itinga, Minas Gerais, Brazil' _chemical_formula_sum '(Ta2.18 Nb.82) (Li.96 Mn.03 Na.01) O8' _cell_length_a 7.4425 _cell_length_b 5.0493 _cell_length_c 15.2452 _cell_angle_alpha 90 _cell_angle_beta 107.381 _cell_angle_gamma 90 _cell_volume 546.747 _exptl_crystal_density_diffrn 7.376 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,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 _atom_site_U_iso_or_equiv TaM1 0.74765 0.24400 0.07791 0.64100 0.00508 NbM1 0.74765 0.24400 0.07791 0.35900 0.00508 TaM2 0.98987 0.24084 0.33689 0.66500 0.00466 NbM2 0.98987 0.24084 0.33689 0.33500 0.00466 TaM3 0.50096 0.23890 0.33301 0.87400 0.00528 NbM3 0.50096 0.23890 0.33301 0.12600 0.00528 LiM4 0.23910 0.25610 0.07940 0.96000 0.00300 MnM4 0.23910 0.25610 0.07940 0.03000 0.00300 NaM4 0.23910 0.25610 0.07940 0.01000 0.00300 O1 0.00020 0.06080 0.09790 1.00000 0.00640 O2 0.41760 0.06700 0.21810 1.00000 0.00590 O3 0.76530 0.10080 0.34430 1.00000 0.00730 O4 0.53680 0.42100 0.10110 1.00000 0.00640 O5 0.91440 0.41120 0.21540 1.00000 0.00540 O6 0.64360 0.39310 0.46060 1.00000 0.00780 O7 0.85240 0.56370 0.04890 1.00000 0.00730 O8 0.27550 0.41230 0.34440 1.00000 0.00630 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 TaM1 0.00614 0.00390 0.00485 0.00065 0.00108 -0.00033 NbM1 0.00614 0.00390 0.00485 0.00065 0.00108 -0.00033 TaM2 0.00518 0.00380 0.00496 0.00056 0.00143 0.00038 NbM2 0.00518 0.00380 0.00496 0.00056 0.00143 0.00038 TaM3 0.00517 0.00520 0.00565 -0.00042 0.00190 -0.00014 NbM3 0.00517 0.00520 0.00565 -0.00042 0.00190 -0.00014