data_global
_amcsd_formula_title 'O5 Ta Ti Tl'
loop_
_publ_author_name
'Rebbah A'
'Desgardin G'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 14 
_journal_year 1979
_journal_page_first 1125
_journal_page_last 1131
_publ_section_title
;
 Les oxydes A Ti M O5: echangeures cationiques
 _cod_database_code 1001280
;
_database_code_amcsd 0014273
_chemical_formula_sum 'Tl (Ti Ta) O5'
_cell_length_a 6.444
_cell_length_b 3.801
_cell_length_c 18.86
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 461.950
_exptl_crystal_density_diffrn      7.379
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
Tl1   0.77200   0.25000   0.80030   1.00000
Ti1   0.31300   0.25000   0.03070   0.75000
Ta1   0.31300   0.25000   0.03070   0.25000
Ti2   0.76400   0.25000   0.10970   0.25000
Ta2   0.76400   0.25000   0.10970   0.75000
O1   0.07600   0.25000   0.07800   1.00000
O2   0.65600   0.25000   0.00100   1.00000
O3   0.48100   0.25000   0.11900   1.00000
O4   0.83500   0.25000   0.20200   1.00000
O5   0.24000   0.25000   0.92100   1.00000