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