data_global _chemical_name_mineral 'Wangdaodeite' loop_ _publ_author_name 'Tschauner O' 'Ma C' 'Newville M G' 'Lanzirotti A' _journal_name_full 'Minerals' _journal_volume 10 _journal_year 2020 _journal_page_first _journal_page_last 1072 _publ_section_title ; Structure analysis of natural wangdaodeite - LiNbO3-type FeTiO3 ; _database_code_amcsd 0020928 _chemical_compound_source 'Ries impact structure, Germany' _chemical_formula_sum '(Fe.92 Mn.08) Ti O3' _cell_length_a 5.148 _cell_length_b 5.148 _cell_length_c 13.649 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 313.263 _exptl_crystal_density_diffrn 4.823 _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 Fe 0.00000 0.00000 0.28400 0.92000 0.01500 Mn 0.00000 0.00000 0.28400 0.08000 0.01500 Ti 0.00000 0.00000 0.00120 1.00000 0.03000 O 0.31490 0.02500 0.24400 1.00000 0.00300