data_global
_chemical_name_mineral 'Ilmenite'
loop_
_publ_author_name
'Wechsler B A'
'Prewitt C T'
_journal_name_full 'American Mineralogist'
_journal_volume 69 
_journal_year 1984
_journal_page_first 176
_journal_page_last 185
_publ_section_title
;
 Crystal structure of ilmenite (FeTiO3) at high temperature and high pressure
 P = 46.1 kbar
;
_database_code_amcsd 0000934
_chemical_formula_sum 'Fe Ti O3'
_cell_length_a 5.0561
_cell_length_b 5.0561
_cell_length_c 13.9115
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 307.989
_exptl_crystal_density_diffrn      4.908
_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_U_iso_or_equiv
Fe   0.00000   0.00000   0.35580   0.00798
Ti   0.00000   0.00000   0.14644   0.00659
O   0.31649   0.02165   0.24545   0.00823