data_global
_amcsd_formula_title 'Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16'
loop_
_publ_author_name
'Martin C'
'Maignan A'
'Huve M'
'Labbe P'
'Ledesert M'
'Leligny H'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 217 
_journal_year 1993
_journal_page_first 106
_journal_page_last 112
_publ_section_title
;
 A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K.
 A single-crystal study.
 _cod_database_code 1001576
;
_database_code_amcsd 0015060
_chemical_formula_sum 'Tl1.16 Cu3 (Ba.72 Sr1.28) Ca1.84 O9'
_cell_length_a 3.8274
_cell_length_b 3.8274
_cell_length_c 15.524
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 227.411
_exptl_crystal_density_diffrn      6.254
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x,-z'
  '-y,x,z'
  'x,-y,z'
  '-x,y,-z'
  'x,y,-z'
  '-x,-y,z'
  'y,x,z'
  '-y,-x,-z'
  '-y,x,-z'
  'y,-x,z'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1   0.08720   0.00000   0.00000   0.25000
Cu1   0.00000   0.00000   0.50000   1.00000
Cu2   0.00000   0.00000   0.29020   1.00000
Ba1   0.50000   0.50000   0.16900   0.36000
Sr1   0.50000   0.50000   0.16900   0.64000
Ca1   0.50000   0.50000   0.39310   0.92000
Tl2   0.50000   0.50000   0.39310   0.08000
O1   0.50000   0.00000   0.50000   1.00000
O2   0.50000   0.00000   0.29640   1.00000
O3   0.00000   0.00000   0.13100   1.00000
O4   0.50000   0.50000   0.00000   1.00000
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
Tl1 0.04600 0.02400 0.08100 0.00000 0.00000 0.00000
Cu1 0.00670 0.00670 0.00900 0.00000 0.00000 0.00000
Cu2 0.00780 0.00780 0.01100 0.00000 0.00000 0.00000
Ba1 0.00700 0.00700 0.00970 0.00000 0.00000 0.00000
Sr1 0.00700 0.00700 0.00970 0.00000 0.00000 0.00000
Ca1 0.00650 0.00650 0.01000 0.00000 0.00000 0.00000
Tl2 0.00650 0.00650 0.01000 0.00000 0.00000 0.00000
O1 0.00400 0.02600 0.02100 0.00000 0.00000 0.00000
O2 0.00600 0.00900 0.02000 0.00000 0.00000 0.00000
O3 0.02100 0.02100 0.01200 0.00000 0.00000 0.00000
O4 0.03000 0.03000 0.00400 0.00000 0.00000 0.00000