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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/1/00/02/1000285.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_1000285
_chemical_name_systematic
;
Dibismuth distrontium calcium dicopper oxide
;
_chemical_formula_structural       'Bi2 Sr2 Ca Cu2 O8'
_chemical_formula_sum              'Bi2 Ca Cu2 O8 Sr2'
_publ_section_title
;
Electron microscopy study of the superconductor "Bi~2~ Sr~2~ Ca Cu~2~
O~8~"
;
loop_
_publ_author_name
  'Hervieu, M'
  'Michel, C'
  'Domenges, B'
  'Laligant, Y'
  'Lebail, A'
  'Ferey, G'
  'Raveau, B'
_journal_name_full                 'Modern Physics Letters B'
_journal_coden_ASTM                MPLBET
_journal_volume                    2
_journal_year                      1988
_journal_page_first                491
_journal_page_last                 500
_cell_length_a                     5.4054
_cell_length_b                     5.4016
_cell_length_c                     30.7152
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       896.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'A m a a'
_symmetry_Int_Tables_number        66
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '1/2-x,y,-z'
  '1/2-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  '1/2+x,-y,z'
  '1/2+x,y,-z'
  'x,1/2+y,1/2+z'
  'x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,1/2-y,1/2-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2+x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Sr2+   2.000
  Cu2+   2.000
  Ca2+   2.000
  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+  16 m 0.052(3) 0.2745(7) 0.0524(2) 0.5  0 d
  Sr1   Sr2+   8 l 0. 0.75 0.3597(4) 1.  0 d
  Cu1   Cu2+   8 l 0.5 0.75 0.3033(6) 1.  0 d
  Ca1   Ca2+   4 f 0.5 0.25 0.25 1.  0 d
  O1    O2-    8 h 0.75 0. 0.201(5) 1.  0 d
  O2    O2-    8 h 0.25 0.5 0.201(5) 1.  0 d
  O3    O2-    8 l 0. 0.25 0.385(2) 1.  0 d
  O4    O2-    8 l 0.5 0.27 0.0524 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Bi1   0.054 0. 0. 0.008 0. 0.033
  Sr1   0.095 0. 0. 0.01 0. 0.068
  Cu1   0. 0. 0. 0. 0. 0.096
  Ca1   0.099 0. 0. 0.03 0. 0.158
_refine_ls_R_factor_all            0.08
_cod_database_code 1000285
_journal_paper_doi 10.1142/S0217984988000060