#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1006050.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_1006050
_chemical_name_systematic
;
Bismuth strontium copper oxide (4/7.9/5/19.1)
;
_chemical_formula_structural       'Bi4 Sr7.86 Cu5 O19.06'
_chemical_formula_sum              'Bi4 Cu5 O19.06 Sr7.86'
_publ_section_title
;
High resolution neutron powder diffraction study of the tubular phase
Bi~4~Sr~8~Cu~5~O~19+x~
;
loop_
_publ_author_name
  'Caldes, M T'
  'Navarro, J M'
  'Fuertes, A'
  'Obradors, X'
  'Miravitlles, C'
  'Rodriguez-Carvajal, J'
  'Vallet, M'
  'Gonzalez-Calbet, J'
_journal_name_full
;
Materials Research Society Symposia Proceedings
;
_journal_coden_ASTM                MRSPDH
_journal_volume                    169
_journal_year                      1990
_journal_page_first                133
_journal_page_last                 138
_cell_length_a                     3.671
_cell_length_b                     33.9719
_cell_length_c                     24.0722
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       3002.1
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'F m m m'
_symmetry_Int_Tables_number        69
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
  '-x,y,z'
  'x,-y,z'
  'x,y,-z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '-x,1/2-y,1/2-z'
  '1/2-x,-y,1/2-z'
  '1/2-x,1/2-y,-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '1/2+x,1/2-y,z'
  'x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2+x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Bi3+   3.000
  Sr2+   2.000
  Cu2+   2.080
  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. 0.2883(2) 0.1889(2) 1.  0 d
  Bi2   Bi3+  16 m 0. 0.1343(1) 0.1909(3) 1.  0 d
  Sr1   Sr2+  16 m 0. 0.2112(2) 0.0741(2) 1.  0 d
  Sr2   Sr2+  16 m 0. 0.0573(2) 0.0855(3) 0.930(16)  0 d
  Sr3   Sr2+  16 m 0. 0.3652(2) 0.0783(3) 1.  0 d
  Sr4   Sr2+  16 m 0. 0.4455(2) 0.1961(3) 1.  0 d
  Cu1   Cu2+   8 h 0. 0.4422(2) 0. 1.  0 d
  Cu2   Cu2+   8 h 0. 0.1339(2) 0. 1.  0 d
  Cu3   Cu2+   8 h 0. 0.2901(3) 0. 1.  0 d
  Cu4   Cu2+   8 i 0. 0.5 0.0833(3) 1.  0 d
  Cu5   Cu2+   8 i 0. 0. 0.1947(3) 1.  0 d
  O1    O2-   16 m 0. 0.1351(2) 0.1047(3) 1.  0 d
  O2    O2-   16 m 0.5 0.2093(2) 0.1026(3) 1.  0 d
  O3    O2-   16 m 0. 0.0740(2) 0.1963(3) 1.  0 d
  O4    O2-   16 m 0.5 0.0562(2) 0.0813(3) 0.842(18)  0 d
  O5    O2-   32 p 0.3825(17) 0.2753(3) 0.1835(4) 0.5  0 d
  O6    O2-   32 p 0.4018(16) 0.1329(3) 0.1845(4) 0.5  0 d
  O7    O2-   16 o 0.2346(20) 0.0932(3) 0. 0.620(16)  0 d
  O8    O2-   16 o 0.2541(16) 0.1711(2) 0. 1.  0 d
  O9    O2-    8 e 0.25 0.25 0. 1.  0 d
  O10   O2-   16 n 0.2394(17) 0. 0.1392(4) 0.796(16)  0 d
  O11   O2-    8 d 0.25 0. 0.25 1.  0 d
  O12   O2-    8 g 0.3575(30) 0. 0. 0.544(20)  0 d
_refine_ls_R_factor_all            0.014
_cod_database_code 1006050