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#$Date: 2017-09-03 00:57:34 +0300 (Sun, 03 Sep 2017) $
#$Revision: 200133 $
#$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
loop_
_publ_author_name
'Rouillon, T.'
'Groult, D.'
'Hervieu, M.'
'Michel, C.'
'Raveau, B.'
_publ_section_title
;
 Pb₂Sr₂LnCeCu₃O~10+δ~, a new member of the layered cuprates
 family, built up from double fluorite-type layers
;
_journal_coden_ASTM              PHYCE6
_journal_issue                   1-2
_journal_name_full
;
 Physica C: Superconductivity and Its Applications (Amsterdam, Netherlands)
;
_journal_page_first              107
_journal_page_last               111
_journal_paper_doi               10.1016/0921-4534(90)90493-X
_journal_volume                  167
_journal_year                    1990
_chemical_formula_structural     'Pb2 Sr2 (Nd Ce) Cu3 O10.2'
_chemical_formula_sum            'Ce Cu3 Nd O10.2 Pb2 Sr2'
_chemical_name_systematic
;
Lead strontium neodymium cerium copper oxide (2/2/1/1/3/10.2)
;
_space_group_IT_number           69
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.442(4)
_cell_length_b                   5.462(4)
_cell_length_c                   36.90(2)
_cell_volume                     1096.8
_refine_ls_R_factor_all          0.052
_cod_database_code               1001458
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_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
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
