data_global
_amcsd_formula_title 'Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y'
loop_
_publ_author_name
'Rouillon T'
'Caignaert V'
'Hervieu M'
'Michel C'
'Groult D'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 97 
_journal_year 1992
_journal_page_first 56
_journal_page_last 64
_publ_section_title
;
 PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt
 layers and triple oxygen-deficient perovskite layers; X-ray, neutron
 diffraction, and electron microscopy study
 _cod_database_code 1001594
;
_database_code_amcsd 0013730
_chemical_formula_sum 'Cu3.01 (Ba.93 Sr1.07) Pb.99 Y O7'
_cell_length_a 3.8432
_cell_length_b 3.8432
_cell_length_c 27.422
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 405.028
_exptl_crystal_density_diffrn      6.714
_symmetry_space_group_name_H-M 'I 4 m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.00000   0.00000   0.00000   1.00000
Ba1   0.50000   0.50000   0.06890   0.66000
Sr1   0.50000   0.50000   0.06890   0.34000
Cu2   0.00000   0.00000   0.15350   1.00000
Pb1   0.50000   0.50000   0.21430   0.99000
Cu3   0.50000   0.50000   0.21430   0.01000
Ba2   0.00000   0.00000   0.31090   0.27000
Sr2   0.00000   0.00000   0.31090   0.73000
Cu4   0.50000   0.50000   0.37970   1.00000
Y1   0.00000   0.00000   0.43980   1.00000
O1   0.00000   0.50000  -0.00520   1.00000
O2   0.00000   0.00000   0.09320   1.00000
O3   0.14300   0.00000   0.21530   0.25000
O4   0.50000   0.50000   0.29240   1.00000
O5   0.00000   0.50000   0.39220   1.00000