data_global
_amcsd_formula_title 'Au0.099 Ba2 Cu2.901 O6.5 Y'
loop_
_publ_author_name
'Renevier H'
'Hodeau J'
'Fournier T'
'Bordet P'
'Marezio M'
_journal_name_full 'Physica C'
_journal_volume 172 
_journal_year 1990
_journal_page_first 183
_journal_page_last 189
_publ_section_title
;
 Gold effect on chemical bonding in YBa2(Cu1-y,Auy)4/3O6+x
 _cod_database_code 1008490
;
_database_code_amcsd 0016383
_chemical_formula_sum 'Y Ba2 Cu2.901 Au.099 O4.5'
_cell_length_a 3.842
_cell_length_b 3.878
_cell_length_c 11.765
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 175.290
_exptl_crystal_density_diffrn      6.057
_symmetry_space_group_name_H-M 'P m m m'
loop_
_space_group_symop_operation_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'
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   0.19057   1.00000
Cu1   0.00000   0.00000   0.00000   0.90100
Au1   0.00000   0.00000   0.00000   0.09900
Cu2   0.00000   0.00000   0.35872   1.00000
O1   0.00000   0.00000   0.15740   1.00000
O2   0.00000   0.50000   0.37850   1.00000
O4   0.00000   0.50000   0.00000   0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Y1 0.00810 0.00810 0.00830 0.00000 0.00000 0.00000
Ba1 0.01120 0.01120 0.01070 0.00000 0.00000 0.00000
Cu1 0.01120 0.01120 0.00480 0.00000 0.00000 0.00000
Au1 0.01120 0.01120 0.00480 0.00000 0.00000 0.00000
Cu2 0.00690 0.00690 0.01020 0.00000 0.00000 0.00000
O1 0.02200 0.02200 0.01000 0.00000 0.00000 0.00000
O2 0.01100 0.00600 0.01300 0.00000 0.00000 0.00000
O4 0.03200 0.03600 0.00900 0.00000 0.00000 0.00000