data_global
_amcsd_formula_title 'Ba3 Cl2 O5 Tl2'
loop_
_publ_author_name
'Letouze F'
'Martin C'
'Pelloquin D'
'Michel C'
'Hervieu M'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 31 
_journal_year 1996
_journal_page_first 773
_journal_page_last 780
_publ_section_title
;
 A thallium oxychloride closely related to the Sr3Ti2O7 and YBaFeCuO5
 structures: Ba3Tl2O5Cl2
 _cod_database_code 1001756
;
_database_code_amcsd 0014375
_chemical_formula_sum 'Tl2 Ba3 Cl2 O5'
_cell_length_a 4.3499
_cell_length_b 4.3499
_cell_length_c 25.36699
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 479.985
_exptl_crystal_density_diffrn      6.723
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1   0.00000   0.00000   0.58280
Ba1   0.00000   0.00000   0.00000
Ba2   0.00000   0.00000   0.16430
Cl1   0.00000   0.00000   0.70950
O1   0.00000   0.00000   0.50000
O2   0.00000   0.50000   0.09070