data_global
_amcsd_formula_title 'Ba2 Cu3 O7 Y'
loop_
_publ_author_name
'Capponi J'
'Chaillout C'
'Hewat A'
'Lejay P'
'Marezio M'
'Nguyen N'
'Raveau B'
'Soubeyroux J'
'Tholence J'
'Tournier R'
_journal_name_full 'Europhysics Letters'
_journal_volume 3 
_journal_year 1987
_journal_page_first 1301
_journal_page_last 1307
_publ_section_title
;
 Structure of the 100 K Superconductor Ba2 Y Cu3 O7 between (5-300)K by
 Neutron Powder Diffraction
 _cod_database_code 1001453
;
_database_code_amcsd 0012634
_chemical_formula_sum 'Ba2 Y Cu3 O7'
_cell_length_a 3.8124
_cell_length_b 3.8807
_cell_length_c 11.6303
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 172.068
_exptl_crystal_density_diffrn      6.429
_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
Ba1   0.50000   0.50000   0.18300
Y1   0.50000   0.50000   0.50000
Cu1   0.00000   0.00000   0.00000
Cu2   0.00000   0.00000   0.35430
O1   0.00000   0.00000   0.15920
O2   0.50000   0.00000   0.37640
O3   0.00000   0.50000   0.37730
O4   0.00000   0.50000   0.00000