data_global
_amcsd_formula_title 'Li3TaO4'
loop_
_publ_author_name
'du Boulay D'
'Sakaguchi A'
'Suda K'
'Ishizawa N'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 59 
_journal_year 2003
_journal_page_first i80
_journal_page_last i82
_publ_section_title
;
 Reinvestigation of beta-Li3TaO4
;
_database_code_amcsd 0010410
_chemical_formula_sum 'Li3 Ta O4'
_cell_length_a 8.5080
_cell_length_b 8.5160
_cell_length_c 9.3380
_cell_angle_alpha 90
_cell_angle_beta 116.869
_cell_angle_gamma 90
_cell_volume 603.535
_exptl_crystal_density_diffrn      5.850
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Li1   0.31640  -0.11840   0.61820   0.01200
Li2   0.54250  -0.10730   0.12630   0.01700
Li3   0.82050  -0.12010   0.63880   0.01700
Ta   0.07894  -0.14081   0.12484   0.00618
O1   0.16430  -0.12280   0.36080   0.00790
O2   0.43940  -0.13890   0.88220   0.00920
O3   0.69610  -0.12580   0.36600   0.00900
O4   0.94360  -0.11060   0.88860   0.00840
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
Li1 0.01000 0.01600 0.01400 0.00500 0.01000 0.00800
Li2 0.02600 0.00500 0.02500 0.00100 0.01500 -0.00500
Li3 0.02200 0.00900 0.02100 -0.00500 0.01000 -0.00500
Ta 0.00648 0.00666 0.00567 0.00038 0.00297 0.00036
O1 0.00740 0.01140 0.00370 0.00050 0.00160 -0.00010
O2 0.01020 0.00640 0.01100 -0.00190 0.00480 -0.00330
O3 0.00880 0.00930 0.00870 0.00040 0.00370 -0.00270
O4 0.00690 0.01010 0.00670 -0.00050 0.00180 0.00130