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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/15/1001577.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_1001577
_chemical_name_systematic
;
Bismuth lead strontium copper oxide carbonate (1.5/0.5/3.5/2/8/1)
;
_chemical_formula_structural       '(Bi1.5 Pb0.5) Sr3.5 Cu2 O8 (C O3)'
_chemical_formula_sum            'Bi1.5 Cu2 O11 Pb0.5 Sr3.5'
_[local]_cod_chemical_formula_sum_orig 'Bi1.5 Cu2 O11 Pb.5 Sr3.5'
_publ_section_title
;
Lead substitution in the 30K-superconductor Bi~2~Sr~4-y~Cu~2~CO~3~O~8-d~
;
loop_
_publ_author_name
  'Pelloquin, D'
  'Caldes, M T'
  'Michel, C'
  'Maignan, A'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    217
_journal_year                      1993
_journal_page_first                27
_journal_page_last                 33
_cell_length_a                     5.468(5)
_cell_length_b                     5.427(5)
_cell_length_c                     39.530(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1173.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A b m m'
_symmetry_Int_Tables_number        67
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,-z'
  '-x,1/2-y,z'
  'x,1/2-y,-z'
  '-x,-y,-z'
  'x,-y,z'
  'x,1/2+y,-z'
  '-x,1/2+y,z'
  'x,1/2+y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  'x,-y,1/2-z'
  '-x,1/2-y,1/2-z'
  'x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   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
  Bi1   Bi3+   8 m 0.25 0. 0.0383(2) 0.75  0 d
  Pb1   Pb2+   8 m 0.25 0. 0.0383(2) 0.25  0 d
  Sr1   Sr2+   8 m 0.75 0. 0.1073(3) 0.75  0 d
  Sr2   Sr2+   8 m 0.75 0. 0.1970(3) 1.  0 d
  Cu1   Cu3+   8 m 0.25 0. 0.1546(5) 1.  0 d
  C1    C4+    4 g 0.25 0. 0.25 1.  0 d
  O1    O2-    8 m 0.669(14) 0. 0.0377(3) 1.  0 d
  O2    O2-    8 m 0.196(17) 0. 0.0933(14) 1.  0 d
  O3    O2-    8 m 0.168(14) 0. 0.2184(12) 1.  0 d
  O4    O2-    8 j 0. 0.25 0.1539(16) 1.  0 d
  O5    O2-    8 k 0.5 0.25 0.1539(16) 1.  0 d
  O6    O2-    4 g 0. 0. 0.25 0.5  0 d
  O7    O2-    4 g 0.5 0. 0.25 0.5  0 d
_refine_ls_R_factor_all            0.09
_cod_database_code 1001577
_journal_paper_doi 10.1016/0921-4534(93)90791-N