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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/1/00/14/1001458.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_1001458
_chemical_name_systematic
;
Lead strontium neodymium cerium copper oxide (2/2/1/1/3/10.2)
;
_chemical_formula_structural       'Pb2 Sr2 (Nd Ce) Cu3 O10.2'
_chemical_formula_sum              'Ce Cu3 Nd O10.2 Pb2 Sr2'
_publ_section_title
;
Pb~2~Sr~2~LnCeCu~3~O~10+$~-delta, a new member of the layeredcuprates
family, built up from double fluorite-type layers
;
loop_
_publ_author_name
  'Rouillon, T'
  'Groult, D'
  'Hervieu, M'
  'Michel, C'
  'Raveau, B'
_journal_name_full                 'Physica C (Amsterdam) (152,1988-)'
_journal_coden_ASTM                PHYCE6
_journal_volume                    167
_journal_year                      1990
_journal_page_first                107
_journal_page_last                 111
_cell_length_a                     5.442(4)
_cell_length_b                     5.462(4)
_cell_length_c                     36.90(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1096.8
_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
  Pb2+   2.000
  Sr2+   2.000
  Nd3+   3.000
  Ce3+   3.000
  Cu2+   2.133
  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
  Pb1   Pb2+   8 i 0. 0. 0.0478(5) 1.  0 d
  Sr1   Sr2+   8 i 0. 0. 0.382(1) 1.  0 d
  Nd1   Nd3+   8 i 0. 0. 0.2831(8) 0.5  0 d
  Ce1   Ce3+   8 i 0. 0. 0.2831(8) 0.5  0 d
  Cu1   Cu2+   4 b 0. 0. 0.5 1.  0 d
  Cu2   Cu2+   8 i 0. 0. 0.164(2) 1.  0 d
  O1    O2-    4 a 0. 0. 0. 0.2  0 d
  O2    O2-    8 i 0. 0. 0.449(4) 1.  0 d
  O3    O2-    8 i 0. 0. 0.1033(3) 1.  0 d
  O4    O2-   16 j 0.75 0.25 0.323(2) 1.  0 d
  O5    O2-    8 f 0.25 0.25 0.25 1.  0 d
_refine_ls_R_factor_all            0.052
_cod_database_code 1001458
_journal_paper_doi 10.1016/0921-4534(90)90493-X