data_global
_amcsd_formula_title 'Ba2 Cu Hg O4.12'
loop_
_publ_author_name
'Marezio M'
'Alexandre E'
'Bordet P'
'Capponi J'
'Chaillout C'
'Kopnin E'
'Loureiro S'
'Radaelli P'
'Van Tendeloo G'
_journal_name_full 'Journal of Superconductivity'
_journal_volume 8 
_journal_year 1995
_journal_page_first 507
_journal_page_last 510
_publ_section_title
;
 Cation and anion disorder in Hg Ba2 Can-1 Cun O2n+2+d
 _cod_database_code 1008723
;
_database_code_amcsd 0016607
_chemical_formula_sum 'Hg Ba2 Cu O4.12'
_cell_length_a 3.87320
_cell_length_b 3.87320
_cell_length_c 9.48088
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 142.229
_exptl_crystal_density_diffrn      7.060
_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
Hg1   0.00000   0.00000   0.00000   1.00000
Ba1   0.50000   0.50000   0.29520   1.00000
Cu1   0.00000   0.00000   0.50000   1.00000
O1   0.50000   0.00000   0.50000   1.00000
O2   0.00000   0.00000   0.20680   1.00000
O3   0.50000   0.50000   0.00000   0.12000
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
Hg1 0.01650 0.01650 0.01660 0.00000 0.00000 0.00000
O2 0.03700 0.03700 0.00200 0.00000 0.00000 0.00000