data_global
_amcsd_formula_title 'Li0.88Ta3O8'
loop_
_publ_author_name
'Hodeau J'
'Marezio M'
'Santoro A'
'Roth R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 51 
_journal_year 1984
_journal_page_first 275
_journal_page_last 292
_publ_section_title
;
 Neutron diffraction structure determination of the high-temperature
 form of lithium tritantalate, H-LiTa3O8
 _cod_database_code 1008239
;
_database_code_amcsd 0016161
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ta12 O32 Li3.5'
_cell_length_a 16.718
_cell_length_b 7.696
_cell_length_c 8.931
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1149.078
_exptl_crystal_density_diffrn      7.826
_symmetry_space_group_name_H-M 'P m m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta1   0.25000  -0.00300   0.69000   1.00000
Ta2   0.13120   0.01000   0.39440   1.00000
Ta3   0.06090  -0.00100   0.80760   1.00000
Ta4   0.25000   0.01800   0.05600   1.00000
O1   0.25000   0.02300   0.45300   1.00000
O2   0.13150   0.00800   0.62030   1.00000
O3   0.17430   0.02900   0.87900   1.00000
O4   0.25000   0.25000   0.66800   1.00000
O5   0.25000   0.75000   0.71000   1.00000
O6   0.16390  -0.04400   0.19100   1.00000
O7   0.02000   0.04100   0.33200   1.00000
O8   0.15240   0.25000   0.38700   1.00000
O9   0.11100   0.75000   0.41300   1.00000
O10   0.00000   0.00000   0.00000   1.00000
O11   0.04700   0.25000   0.81700   1.00000
O12   0.07920   0.75000   0.85200   1.00000
O13   0.25000   0.25000   0.08200   1.00000
O14   0.25000   0.75000   0.02400   1.00000
Li1   0.91000   0.25000   0.95200   1.00000
Li2   0.00000   0.25000   0.53900   0.50000
Li3   0.25000   0.25000   0.30400   0.50000