data_1001483
_chemical_name_systematic
;
Thallium(III) barium lanthanum copper oxide (1/1.6/2.4/2/9)
;
_chemical_formula_structural       'Tl Ba1.6 La2.4 Cu2 O9'
_chemical_formula_sum              'Ba1.6 Cu2 La2.4 O9 Tl'
_publ_section_title
;
TlBa~2-x~La~2+x~Cu~2~O~9+d~: a new 42K superconductor, intergrowth of
"1201" and "0201" structures
;
loop_
_publ_author_name
  'Martin, C'
  'Maignan, A'
  'Huve, M'
  'Hervieu, M'
  'Michel, C'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    179
_journal_year                      1991
_journal_page_first                1
_journal_page_last                 8
_cell_length_a                     3.8110(2)
_cell_length_b                     3.8110(2)
_cell_length_c                     31.556(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       458.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  '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'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2+y,1/2+x,1/2+z'
  '1/2-y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tl3+   3.000
  Ba2+   2.000
  La3+   3.000
  Cu2+   2.300
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Tl1   Tl3+   2 a 0. 0. 0. 1.  0 d
  Ba1   Ba2+   4 e 0.5 0.5 0.0850(1) 0.8  0 d
  La1   La3+   4 e 0.5 0.5 0.0850(1) 0.2  0 d
  La2   La3+   4 e 0.5 0.5 0.2044(2) 1.  0 d
  Cu1   Cu2+   4 e 0. 0. 0.1466(4) 1.  0 d
  O1    O2-    2 b 0.5 0.5 0. 1.  0 d
  O2    O2-    4 e 0. 0. 0.063(1) 1.  0 d
  O3    O2-    8 g 0.5 0. 0.1458(9) 1.  0 d
  O4    O2-    4 e 0. 0. 0.218(1) 1.  0 d
_refine_ls_R_factor_all            0.073