data_global
_amcsd_formula_title 'Cu1.85 Fe0.3 O10 Sr4 Tl0.85'
loop_
_publ_author_name
'Letouze F'
'Martin C'
'Hervieu M'
'Nguyen N'
'Maignan A'
'Michel C'
'Raveau B'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 34 
_journal_year 1997
_journal_page_first 983
_journal_page_last 990
_publ_section_title
;
 Stabilisation of a thallium oxycarbonate by trivalent iron:
 Tl0.85Sr4Cu1.85Fe0.30(CO3)O7
 _cod_database_code 1001793
;
_database_code_amcsd 0012611
_chemical_formula_sum 'Tl.85 Fe.3 Cu1.85 Sr4 C O10'
_cell_length_a 3.8246
_cell_length_b 3.8246
_cell_length_c 16.5069
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 241.456
_exptl_crystal_density_diffrn      5.712
_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
Tl1   0.06900   0.00000   0.00000   0.21250
Fe1   0.06900   0.00000   0.00000   0.01750
Cu1   0.06900   0.00000   0.00000   0.02000
Sr1   0.50000   0.50000   0.15870   1.00000
Sr2   0.50000   0.50000   0.37370   1.00000
Cu2   0.00000   0.00000   0.26340   0.88500
Fe2   0.00000   0.00000   0.26340   0.11500
C1   0.00000   0.00000   0.50000   1.00000
O1   0.53000   0.50000   0.00000   0.25000
O2   0.00000   0.00000   0.12300   1.00000
O3   0.14600   0.00000   0.41800   0.25000
O4   0.34000   0.00000   0.50000   0.25000
O5   0.50000   0.00000   0.27100   1.00000