data_global
_amcsd_formula_title 'Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402'
loop_
_publ_author_name
'Nguyen N'
'Groult D'
'Boullay P'
'Michel C'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 132 
_journal_year 1997
_journal_page_first 308
_journal_page_last 314
_publ_section_title
;
 New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0<x<2) with
 the Tl-2212-type structure
 _cod_database_code 1001812
;
_database_code_amcsd 0013937
_chemical_formula_sum 'Tl1.402 Hg.468 (Ba Sr2) Fe2 O8.752'
_cell_length_a 3.8445
_cell_length_b 3.8445
_cell_length_c 30.09799
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 444.854
_exptl_crystal_density_diffrn      7.053
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-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
Tl1   0.00000   0.00000   0.28620   0.70100
Hg1   0.00000   0.00000   0.28620   0.23400
Ba1   0.00000   0.00000   0.13000   0.30000
Sr1   0.00000   0.00000   0.13000   0.70000
Ba2   0.00000   0.00000   0.00000   0.40000
Sr2   0.00000   0.00000   0.00000   0.60000
Fe1   0.00000   0.00000   0.43600   1.00000
O1   0.00000   0.00000   0.50000   1.00000
O2   0.00000   0.00000   0.35400   1.00000
O3   0.11000   0.00000   0.22100   0.21900
O4   0.00000   0.50000   0.42770   1.00000