data_1001584
_chemical_name_systematic
;
Thallium bismuth strontium copper carbonate oxide (0.5/0.5/4/2/1/7)
;
_chemical_formula_structural       '(Tl0.5 Bi0.5) Sr4 Cu2 (C O3) O7'
_chemical_formula_sum              'Bi.5 Cu2 O10 Sr4 Tl.5'
_publ_section_title
;
A 55K superconducting copper oxycarbonate: Tl~1-
x~Bi~x~Sr~4~Cu~2~CO~3~O~7~
;
loop_
_publ_author_name
  'Maignan, A'
  'Huve, M'
  'Michel, C'
  'Hervieu, M'
  'Martin, C'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    208
_journal_year                      1993
_journal_page_first                149
_journal_page_last                 154
_cell_length_a                     3.8309(2)
_cell_length_b                     3.8309(2)
_cell_length_c                     16.518(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       242.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tl3+   3.000
  Bi3+   3.000
  Sr2+   2.000
  Cu2+   2.500
  C4+    4.000
  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+   4 l 0.077(3) 0. 0. 0.125  0 d
  Bi1   Bi3+   4 l 0.077(3) 0. 0. 0.125  0 d
  Sr1   Sr2+   2 h 0.5 0.5 0.1608(3) 1.  0 d
  Sr2   Sr2+   2 h 0.5 0.5 0.3733(4) 1.  0 d
  Cu1   Cu2+   2 g 0. 0. 0.2641(5) 1.  0 d
  C1    C4+    1 b 0. 0. 0.5 1.  0 d
  O1    O2-    4 n 0.67(1) 0.5 0. 0.25  0 d
  O2    O2-    2 g 0. 0. 0.125(2) 1.  0 d
  O3    O2-    8 s 0.13(1) 0. 0.426(2) 0.25  0 d
  O4    O2-    4 m 0.34(1) 0. 0.5 0.25  0 d
  O5    O2-    4 i 0.5 0. 0.268(1) 1.  0 d
_refine_ls_R_factor_all            0.085