data_global _amcsd_formula_title 'FeTi2O5' loop_ _publ_author_name 'Kazheva O N' 'Zubkova N V' 'Schafer C' 'Chukanov N V' 'Pekov I V' 'Britvin S N' 'Pushcharovsky D Y' _journal_name_full 'Doklady Earth Sciences' _journal_volume 497 _journal_year 2021 _journal_page_first 305 _journal_page_last 309 _publ_section_title ; The pseudobrookite group: crystal chemical features of the armalcolite Fe2+ analogue ; _database_code_amcsd 0020983 _chemical_compound_source 'Aljorra, Spain' _chemical_formula_sum 'Fe1.21 Mg.19 Ti1.6 O5' _cell_length_a 3.7325 _cell_length_b 9.7649 _cell_length_c 9.9902 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 364.118 _exptl_crystal_density_diffrn 4.174 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-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 FeM1 0.00000 0.18945 0.75000 0.51000 0.00720 MgM1 0.00000 0.18945 0.75000 0.19000 0.00720 TiM1 0.00000 0.18945 0.75000 0.30000 0.00720 TiM2 0.00000 0.13558 0.43583 0.65000 0.00670 FeM2 0.00000 0.13558 0.43583 0.35000 0.00670 O1 0.00000 0.31120 0.56990 1.00000 0.00880 O2 0.50000 0.26540 0.75000 1.00000 0.00920 O3 0.00000 0.04720 0.61580 1.00000 0.01010