data_global
_amcsd_formula_title 'Ba4 Cu7 O14.3 Y2'
loop_
_publ_author_name
'Bordet P'
'Chaillout C'
'Chenavas J'
'Hodeau J'
'Marezio M'
'Karpinski J'
'Kaldis E'
_journal_name_full 'Nature'
_journal_volume 334 
_journal_year 1988
_journal_page_first 596
_journal_page_last 598
_publ_section_title
;
 Structure Determination of the new high-temperature Superconductor
 Y Ba Cu O (2/4/7/14.30)
 _cod_database_code 1008369
;
_database_code_amcsd 0016279
_chemical_formula_sum 'Ba4 Y2 Cu7 O14.3'
_cell_length_a 3.851
_cell_length_b 3.869
_cell_length_c 50.29
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 749.297
_exptl_crystal_density_diffrn      6.208
_symmetry_space_group_name_H-M 'A m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  'x,y,-z'
  'x,1/2+y,1/2-z'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  'x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '-x,y,z'
  '-x,1/2+y,1/2+z'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '-x,-y,-z'
  '-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
Ba1   0.50000   0.50000   0.04310   1.00000
Ba2   0.50000   0.50000   0.18797   1.00000
Y1   0.50000   0.50000   0.11545   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.08293   1.00000
Cu3   0.00000   0.00000   0.14831   1.00000
Cu4   0.00000   0.00000   0.23012   0.70000
Cu5   0.00000   0.00000   0.23012   0.30000
O1   0.00000   0.00000   0.03530   1.00000
O2   0.50000   0.00000   0.08710   1.00000
O3   0.00000   0.50000   0.08650   1.00000
O4   0.50000   0.00000   0.14300   1.00000
O5   0.00000   0.50000   0.14320   1.00000
O6   0.00000   0.00000   0.19370   1.00000
O7   0.00000   0.50000   0.23280   1.00000
O8   0.00000   0.50000   0.00000   0.10000
O9   0.50000   0.00000   0.00000   0.20000
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
Ba1 0.01410 0.01470 0.00940 0.00000 0.00000 0.00000
Ba2 0.00590 0.00630 0.00700 0.00000 0.00000 0.00000
Y1 0.00030 -0.00170 0.00090 0.00000 0.00000 0.00000
Cu1 0.04200 0.04700 0.02000 0.00000 0.00000 0.00000
Cu2 0.00330 0.00530 0.00840 0.00000 0.00000 0.00000
Cu3 0.00270 0.00450 0.00710 0.00000 0.00000 0.00000
Cu4 0.01100 0.00480 0.00150 0.00000 0.00000 0.00000
Cu5 0.01100 0.00480 0.00150 0.00000 0.00000 0.00000
O1 0.01000 0.09000 0.10000 0.00000 0.00000 0.00000