data_global
_amcsd_formula_title 'Cu O6 Sr2 Tl2'
loop_
_publ_author_name
'Martin C'
'Maignan A'
'Huve M'
'Michel C'
'Hervieu M'
'Raveau B'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 30 
_journal_year 1993
_journal_page_first 7
_journal_page_last 18
_publ_section_title
;
 The influence of alkaline-earth ions on the properties of the "2201"
 superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d
 _cod_database_code 1001522
;
_database_code_amcsd 0012562
_chemical_formula_sum 'Tl2 Sr2 Cu O6'
_cell_length_a 3.7464
_cell_length_b 3.7464
_cell_length_c 22.3013
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 313.010
_exptl_crystal_density_diffrn      7.889
_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
_atom_site_occupancy
Tl1   0.04400   0.00000   0.20090   0.25000
Sr1   0.50000   0.50000   0.08060   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
O1   0.00000   0.50000   0.00000   1.00000
O2   0.00000   0.00000   0.10700   1.00000
O3   0.58000   0.00000   0.20600   0.25000