data_global
_amcsd_formula_title 'Ba2 Ca2 Cu3 Hg0.692 O8.6'
loop_
_publ_author_name
'Kopnin E'
'Antipov E'
'Capponi J'
'Bordet P'
'Chaillout C'
'de Brion S'
'Marezio M'
'Bobylev A'
'Van Tendeloo G'
_journal_name_full 'Physica C'
_journal_volume 243 
_journal_year 1995
_journal_page_first 222
_journal_page_last 232
_publ_section_title
;
 Suppression of superconductivity in Hg-1223 and Hg-1234 by partial
 replacement of Hg by carbon
 _cod_database_code 1008674
;
_database_code_amcsd 0016560
_chemical_formula_sum 'Hg.692 Ba2 Ca2 Cu3 O8.6'
_cell_length_a 3.86521
_cell_length_b 3.86521
_cell_length_c 15.6486
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 233.788
_exptl_crystal_density_diffrn      5.837
_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   0.50000   0.69200
Ba1   0.50000   0.50000   0.32760   1.00000
Ca1   0.50000   0.50000   0.10590   1.00000
Cu1   0.00000   0.00000   0.00000   1.00000
Cu2   0.00000   0.00000   0.20410   1.00000
O1   0.50000   0.00000   0.00000   1.00000
O2   0.50000   0.00000   0.19900   1.00000
O3   0.00000   0.00000   0.38800   1.00000
O4   0.50000   0.50000   0.50000   0.60000
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 0.02900 0.02900 -0.00100 0.00000 0.00000 0.00000