data_global
_chemical_name_mineral 'Ilmenite'
loop_
_publ_author_name
'Harrison R J'
'Redfern S A T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 28 
_journal_year 2001
_journal_page_first 399
_journal_page_last 412
_publ_section_title
;
 Short- and long-range ordering in the ilmenite-hematite solid solution
 Sample: ilm60, T = 399 C
;
_database_code_amcsd 0008561
_chemical_formula_sum '(Fe1.4 Ti.6) O3'
_cell_length_a 5.09101
_cell_length_b 5.09101
_cell_length_c 13.9543
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 313.218
_exptl_crystal_density_diffrn      4.928
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
FeA   0.00000   0.00000   0.35554   0.83400   0.01530
TiA   0.00000   0.00000   0.35554   0.16600   0.01530
FeB   0.00000   0.00000   0.14257   0.56600   0.01530
TiB   0.00000   0.00000   0.14257   0.43400   0.01530
O   0.31180   0.01120   0.24770   1.00000   0.01300