data_global
_amcsd_formula_title 'Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31'
loop_
_publ_author_name
'Knizek K'
'Malo S'
'Michel C'
'Maignan A'
'Pollert E'
'Raveau B'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 34 
_journal_year 1997
_journal_page_first 1063
_journal_page_last 1074
_publ_section_title
;
 Structural evolution and physical properties of the 1212 superconductor
 series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d
 _cod_database_code 1001798
;
_database_code_amcsd 0012617
_chemical_formula_sum 'Hg.69 V.31 Ba1.13 Sr1.07 Ca.8 Cu2 O7'
_cell_length_a 3.8575
_cell_length_b 3.8575
_cell_length_c 12.295
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 182.953
_exptl_crystal_density_diffrn      6.120
_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   0.69000
V1   0.10000   0.00000   0.00000   0.07750
Ba1   0.50000   0.50000   0.21550   0.56500
Sr1   0.50000   0.50000   0.21550   0.43500
Ca1   0.50000   0.50000   0.50000   0.80000
Sr2   0.50000   0.50000   0.50000   0.20000
Cu1   0.00000   0.00000   0.36700   1.00000
O1   0.00000   0.50000   0.36800   1.00000
O2   0.00000   0.00000   0.14700   1.00000
O3   0.36500   0.36500   0.00000   0.25000