data_global
_amcsd_formula_title 'Cu0.6667 Fe0.6667 O3 Ti0.6667'
loop_
_publ_author_name
'Mouron P'
'Odier P'
'Choisnet J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 60 
_journal_year 1985
_journal_page_first 87
_journal_page_last 94
_publ_section_title
;
 Titanates de cuivre substitues a structure bixbyite: Les composes
 Cu1-x Ti1-x Fe2x O3 (0.15<x<0.33)
 _cod_database_code 1001551
;
_database_code_amcsd 0013563
_chemical_formula_sum 'Cu.667 Ti.667 Fe.667 O3'
_cell_length_a 9.4312
_cell_length_b 9.4312
_cell_length_c 9.4312
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 838.882
_exptl_crystal_density_diffrn      5.052
_symmetry_space_group_name_H-M 'I a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2+z,-x,y'
  '+z,1/2-x,1/2+y'
  '-z,x,1/2+y'
  '1/2-z,1/2+x,+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  'z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  'y,1/2+z,-x'
  '1/2+y,+z,1/2-x'
  '1/2+y,-z,x'
  '+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1   0.25000   0.25000   0.25000   0.33330
Ti1   0.25000   0.25000   0.25000   0.33330
Fe1   0.25000   0.25000   0.25000   0.33330
Cu2  -0.03000   0.00000   0.25000   0.33330
Ti2  -0.03000   0.00000   0.25000   0.33330
Fe2  -0.03000   0.00000   0.25000   0.33330
O1   0.37700   0.15800   0.39500   1.00000