#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008677.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_1008677
_chemical_name_systematic
;
Bismuth lead distrontium manganese(III) oxide
;
_chemical_formula_structural       'Bi Pb Sr2 Mn O6'
_chemical_formula_sum              'Bi Mn O6 Pb Sr2'
_publ_section_title
;
Crystal structure of Bi Pb Sr2 Mn O6 by powder neutron diffraction
;
loop_
_publ_author_name
  'Levy, D'
  'Fu, W T'
  'Ijdo, D J W'
  'Catti, M'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    92
_journal_year                      1994
_journal_page_first                659
_journal_page_last                 663
_journal_issue                     8
_cell_length_a                     5.3204(3)
_cell_length_b                     5.3796(3)
_cell_length_c                     23.71399(100)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       678.7
_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
  Mn3+   3.000
  Bi3+   3.000
  Pb2+   2.000
  Sr2+   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
  Mn1   Mn3+   4 e 0. 0.25 0.25 1.  0 d
  Bi1   Bi3+   8 l 0. 0.2496(1) 0.0609(1) 0.5  0 d
  Pb1   Pb2+   8 l 0. 0.2496(1) 0.0609(1) 0.5  0 d
  Sr1   Sr2+   8 l 0. 0.7468(10) 0.1710(1) 1.  0 d
  O1    O2-    8 h 0.25 0. 0.2470(3) 1.  0 d
  O2    O2-    8 l 0. 0.2629(13) 0.1519(2) 1.  0 d
  O3    O2-   16 m 0.3978(9) 0.1525(7) 0.0653(2) 0.5  0 d
_refine_ls_R_factor_all            0.0383
_cod_database_code 1008677