#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1001597.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_1001597
_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
;
High resolution electron microscopy study of the high T~c~
superconductor Tl~0.5~Pb~0.5~Sr~4~Cu~2~CO~3~O~7~
;
loop_
_publ_author_name
  'Hervieu, M'
  'Michel, C'
  'Huve, M'
  'Martin, C'
  'Maignan, A'
  'Raveau, B'
_journal_name_full                 'Microscopy, Microanalysis, Microstructures'
_journal_coden_ASTM                MMMIEY
_journal_volume                    4
_journal_year                      1993
_journal_page_first                41
_journal_page_last                 50
_cell_length_a                     3.8244(1)
_cell_length_b                     3.8244(1)
_cell_length_c                     16.51599(100)
_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
  Pb2+   2.000
  Sr2+   2.000
  Cu3+   2.750
  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   Pb2+   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   Cu3+   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
_cod_database_code 1001597