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 T = 1050 C ; _database_code_amcsd 0000929 _chemical_formula_sum 'Fe Ti O3' _cell_length_a 5.1412 _cell_length_b 5.1412 _cell_length_c 14.225 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 325.621 _exptl_crystal_density_diffrn 4.642 _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 0.35732 0.03002 Ti 0.00000 0.00000 0.14748 0.02039 O 0.31867 0.02491 0.24475 0.02520