#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001442.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_1001442
_chemical_name_systematic
;
Lead strontium yttrium copper oxide (.5/2.5/1/2/6.6)
;
_chemical_formula_structural       '(Pb0.5 Sr2.5) Y Cu2 O6.6'
_chemical_formula_sum              'Cu2 O6.6 Pb.5 Sr2.5 Y'
_publ_section_title
;
The solid solution Pb~0.5~Sr~2.5~Y~1-x~Ca~x~Cu~2~O~7-d~:
Superconductivity and structure
;
loop_
_publ_author_name
  'Rouillon, T'
  'Provost, J'
  'Hervieu, M'
  'Groult, D'
  'Michel, C'
  'Raveau, B'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    84
_journal_year                      1990
_journal_page_first                375
_journal_page_last                 385
_cell_length_a                     3.8253(3)
_cell_length_b                     3.8253(3)
_cell_length_c                     11.891(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       174.0
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 4/m m m'
_symmetry_Int_Tables_number        123
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '-y,-x,-z'
  'y,x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Sr2+   2.000
  Y3+    3.000
  Cu2+   2.100
  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+   1 d 0.5 0.5 0.5 0.5  0 d
  Sr1   Sr2+   1 d 0.5 0.5 0.5 0.5  0 d
  Sr2   Sr2+   2 g 0. 0. 0.2891(8) 1.  0 d
  Y1    Y3+    1 a 0. 0. 0. 1.  0 d
  Cu1   Cu2+   2 f 0.5 0.5 0.1391(9) 1.  0 d
  O1    O2-    4 i 0. 0.5 0.1235(9) 1.  0 d
  O2    O2-    2 h 0.5 0.5 0.308(6) 0.8  0 d
  O3    O2-    1 b 0. 0. 0.5 1.  0 d
_refine_ls_R_factor_all            0.066