data_global
_chemical_name_mineral 'Alumotantite'
loop_
_publ_author_name
'Ercit T S'
'Hawthorne F C'
'Cerny P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 30 
_journal_year 1992
_journal_page_first 653
_journal_page_last 662
_publ_section_title
;
 The crystal structure of alumotantite: Its relation to
 the structures of simpsonite and the (Al,Ga)(Ta,Nb)O4 compounds
;
_database_code_amcsd 0005280
_chemical_formula_sum 'Ta Al O4'
_cell_length_a 4.473
_cell_length_b 11.308
_cell_length_c 4.775
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 241.523
_exptl_crystal_density_diffrn      7.478
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-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_U_iso_or_equiv
Ta   0.00000   0.16817   0.25000 ?
Al   0.00000   0.43460   0.25000   0.00557
O1   0.22200   0.31200   0.08600 ?
O2   0.26600   0.05800   0.07300 ?
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
Ta 0.00628 0.00259 0.00635 0.00000 -0.00022 0.00000
O1 0.00456 0.00842 0.00728 -0.00205 -0.00032 -0.00055
O2 0.01338 0.00130 0.01040 0.00000 -0.01060 0.00000