#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001528.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_1001528
_chemical_name_systematic
;
Lead strontium praseodymium cerium copper oxide (2./2./1/1/3./10.1)
;
_chemical_formula_structural       'Pb2.02 Sr2.02 (Pr Ce) Cu3.01 O10.056'
_chemical_formula_sum              'Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02'
_publ_section_title
;
Structural study of the oxide Pb~2~Sr~2~PrCeCu~3~O~10~, intergrowth of
0201- and 0222-type structures
;
loop_
_publ_author_name
  'Rouillon, T'
  'Hervieu, M'
  'Domenges, B'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    103
_journal_year                      1993
_journal_page_first                63
_journal_page_last                 74
_cell_length_a                     5.4512(1)
_cell_length_b                     5.4799(1)
_cell_length_c                     37.0107(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1105.6
_cell_formula_units_Z              4
_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
  Cu2+   2.000
  Pb2+   2.000
  Sr2+   2.000
  Pr3+   3.000
  Ce3+   3.000
  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
  Cu1   Cu2+   4 a 0. 0. 0. 1.01(2)  0 d
  Pb1   Pb2+   8 i 0.5 0. 0.0475(1) 1.01(2)  0 d
  Sr1   Sr2+   8 i 0. 0. 0.1184(1) 1.01(2)  0 d
  Cu2   Cu2+   8 i 0.5 0. 0.1665(1) 1.  0 d
  Pr1   Pr3+   8 i 0. 0. 0.2146(2) 0.50(1)  0 d
  Ce1   Ce3+   8 i 0. 0. 0.2146(2) 0.50(1)  0 d
  O1    O2-    8 e 0.25 0.25 0. 0.02(1)  0 d
  O2    O2-   32 p 0.0608(17) 0.0693(15) 0.0491(2) 0.252(5)  0 d
  O3    O2-    8 i 0.5 0. 0.1050(2) 1.  0 d
  O4    O2-   16 j 0.25 0.25 0.1717(1) 1.  0 d
  O5    O2-    8 f 0.25 0.25 0.25 1.  0 d
_refine_ls_R_factor_all            0.029
_cod_database_code 1001528