data_global
_amcsd_formula_title 'Ba Cu Hg0.67 O4.66 Sr V0.33'
loop_
_publ_author_name
'Knizek K'
'Malo S'
'Michel C'
'Hervieu M'
'Maignan A'
'Raveau B'
_journal_name_full 'Physica C'
_journal_volume 277 
_journal_year 1997
_journal_page_first 119
_journal_page_last 132
_publ_section_title
;
 The 1201 superconductors Hg(1-y) (V O4)(y) (Ba, Sr)2 Cu O(4-2y+delta):
 evidence for VO4 tetrahedra
 _cod_database_code 1001819
;
_database_code_amcsd 0015081
_chemical_formula_sum 'Hg.67 V.332 (Ba Sr) Cu O4.66'
_cell_length_a 3.8523
_cell_length_b 3.8523
_cell_length_c 9.077
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 134.705
_exptl_crystal_density_diffrn      6.341
_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   0.67000
V1   0.10000   0.00000   0.00000   0.08300
Ba1   0.50000   0.50000   0.29320   0.50000
Sr1   0.50000   0.50000   0.29320   0.50000
Cu1   0.00000   0.00000   0.50000   1.00000
O1   0.50000   0.00000   0.50000   1.00000
O2   0.00000   0.00000   0.21600   1.00000
O3   0.36400   0.36400   0.00000   0.16500
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 0.02010 0.02010 0.00860 0.00000 0.00000 0.00000
Ba1 0.00840 0.00840 0.01610 0.00000 0.00000 0.00000
Sr1 0.00840 0.00840 0.01610 0.00000 0.00000 0.00000
Cu1 0.00530 0.00530 0.01200 0.00000 0.00000 0.00000
O1 0.00500 0.01200 0.01500 0.00000 0.00000 0.00000
O2 0.03300 0.03300 0.05600 0.00000 0.00000 0.00000