#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/15/1001579.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1001579
_chemical_name_systematic
;
Thallium lead strontium copper carbonate oxide (0.5/0.5/4/2/1/7)
;
_chemical_formula_structural       '(Tl0.5 Pb0.5) Sr4 Cu2 (C O3) O7'
_chemical_formula_sum            'Cu2 O10 Pb0.5 Sr4 Tl0.5'
_[local]_cod_chemical_formula_sum_orig 'Cu2 O10 Pb.5 Sr4 Tl.5'
_publ_section_title
;
A 70K superconductor. The oxycarbonate
Tl~0.5~Pb~0.5~Sr~4~Cu~2~(CO~3~)O~7~
;
loop_
_publ_author_name
  'Huve, M'
  'Michel, C'
  'Maignan, A'
  'Hervieu, M'
  'Martin, C'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    205
_journal_year                      1993
_journal_page_first                219
_journal_page_last                 224
_cell_length_a                     3.8244(1)
_cell_length_b                     3.8244(1)
_cell_length_c                     16.516(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       241.6
_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
  Pb4+   4.000
  Sr2+   2.000
  Cu2+   2.250
  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 0.083(2) 0. 0. 0.125  0 d
  Pb1   Pb4+   4 l 0.083(2) 0. 0. 0.125  0 d
  Sr1   Sr2+   2 h 0.5 0.5 0.1596(2) 1.  0 d
  Sr2   Sr2+   2 h 0.5 0.5 0.3725(2) 1.  0 d
  Cu1   Cu2+   2 g 0. 0. 0.2654(3) 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. 0.121(1) 1.  0 d
  O3    O2-    8 s 0.162(7) 0. 0.414(2) 0.25  0 d
  O4    O2-    4 n 0.316(12) 0. 0.5 0.25  0 d
  O5    O2-    4 i 0.5 0. 0.277(1) 1.  0 d
_refine_ls_R_factor_all            0.066
_cod_database_code 1001579