data_global
_amcsd_formula_title 'Ba2 Cu2.95 O7.65 Y'
loop_
_publ_author_name
'Gotor F'
'Odier P'
'Gervais M'
'Choisnet J'
'Monod P'
_journal_name_full 'Physica C'
_journal_volume 218 
_journal_year 1993
_journal_page_first 429
_journal_page_last 436
_publ_section_title
;
 Synthesis of YBa2Cu3O7-x by sol-gel route. Formation of YBaCuO
 oxycarbonate intermediate
 _cod_database_code 1001578
;
_database_code_amcsd 0015061
_chemical_formula_sum 'Y Ba2 Cu2.95 O7.64 C.35'
_cell_length_a 3.8706
_cell_length_b 3.8706
_cell_length_c 11.612
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 173.966
_exptl_crystal_density_diffrn      6.466
_symmetry_space_group_name_H-M 'P 4/m m m'
loop_
_space_group_symop_operation_xyz
  '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'
  '-x,y,z'
  'x,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1   0.50000   0.50000   0.50000   1.00000
Ba1   0.50000   0.50000   0.18290   1.00000
Cu1   0.00000   0.00000   0.00000   0.55000
Cu2   0.03650   0.03650   0.00000   0.10000
Cu3   0.00000   0.00000   0.35350   1.00000
O1   0.00000   0.50000   0.00000   0.30000
O2   0.00000   0.00000   0.15400   1.00000
O3   0.00000   0.50000   0.37400   1.00000
C1   0.50000   0.50000   0.00000   0.35000
O4   0.20200   0.33700   0.00000   0.13000