#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/15/1001583.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_1001583
_chemical_name_systematic
;
Dibismuth tetrastrontium dicopper carbonate oxide
;
_chemical_formula_structural       'Bi2 Sr4 Cu2 (C O3) O8'
_chemical_formula_sum              'Bi2 Cu2 O11 Sr4'
_publ_section_title
;
The bismuth oxycarbonate Bi~2~Sr~4~Cu~2~CO~3~O~8~. A new superconductor
with a T~c~ of 30K
;
loop_
_publ_author_name
  'Pelloquin, D'
  'Caldes, M'
  'Maignan, A'
  'Michel, C'
  'Hervieu, M'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    208
_journal_year                      1993
_journal_page_first                121
_journal_page_last                 129
_cell_length_a                     5.466(2)
_cell_length_b                     5.460(2)
_cell_length_c                     39.500(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1178.9
_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
  Sr2+   2.000
  Cu2+   2.000
  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. 0.04 1.  0 d
  Sr1   Sr2+   8 m 0.75 0. 0.109 1.  0 d
  Sr2   Sr2+   8 m 0.75 0. 0.197 1.  0 d
  Cu1   Cu2+   8 m 0.25 0. 0.155 1.  0 d
  C1    C4+    4 g 0.25 0. 0.25 1.  0 d
  O1    O2-    8 m 0.75 0. 0.04 1.  0 d
  O2    O2-    8 m 0.25 0. 0.1 1.  0 d
  O3    O2-    8 h 0. 0.25 0.15 1.  0 d
  O4    O2-    8 i 0.5 0.25 0.15 1.  0 d
  O5    O2-    8 m 0.25 0. 0.22 0.5  0 d
  O6    O2-    4 e 0. 0.25 0.25 0.5  0 d
  O7    O2-    4 f 0.5 0.25 0.25 0.5  0 d
  O8    O2-    8 o 0.082 0.168 0.25 0.5  0 d
_refine_ls_R_factor_all            0.13
_cod_database_code 1001583