data_global _chemical_name_mineral 'Bixbyite-(Mn)' loop_ _publ_author_name 'Yamanaka T' 'Nagai T' 'Okada T' 'Fukuda T' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 220 _journal_year 2005 _journal_page_first 938 _journal_page_last 945 _publ_section_title ; Structure change of Mn2O3 under high pressure and pressure-induced transition Note: P = 5.47 GPa ; _database_code_amcsd 0021100 _chemical_compound_source 'Mt Thomas, Utah, USA' _chemical_formula_sum '(Mn1.097 Fe.807 Ti.035 Al.061) O3' _cell_length_a 9.324 _cell_length_b 9.324 _cell_length_c 9.324 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 810.600 _exptl_crystal_density_diffrn 5.135 _symmetry_space_group_name_H-M 'I a 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2+z,x,1/2-y' '+z,1/2+x,-y' '1/2+z,-x,y' '+z,1/2-x,1/2+y' '-z,x,1/2+y' '1/2-z,1/2+x,+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '-y,1/2-z,x' '1/2-y,-z,1/2+x' '1/2-y,z,-x' '-y,1/2+z,1/2-x' 'y,z,x' '1/2+y,1/2+z,1/2+x' 'x,1/2-y,1/2+z' '1/2+x,-y,+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,1/2+y,-z' '1/2+x,+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' '1/2-z,-x,1/2+y' '-z,1/2-x,+y' '1/2-z,x,-y' '-z,1/2+x,1/2-y' 'z,-x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '1/2-y,1/2+z,x' '-y,+z,1/2+x' 'y,1/2+z,-x' '1/2+y,+z,1/2-x' '1/2+y,-z,x' '+y,1/2-z,1/2+x' '-y,-z,-x' '1/2-y,1/2-z,1/2-x' '-x,1/2+y,1/2-z' '1/2-x,+y,-z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,1/2-y,z' '1/2-x,-y,1/2+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 Mn1 0.00000 0.00000 0.00000 0.54850 0.00874 Fe1 0.00000 0.00000 0.00000 0.40350 0.00874 Ti1 0.00000 0.00000 0.00000 0.01750 0.00874 Al1 0.00000 0.00000 0.00000 0.03050 0.00874 Mn1 0.28470 0.00000 0.25000 0.54850 0.00836 Fe1 0.28470 0.00000 0.25000 0.40350 0.00836 Ti1 0.28470 0.00000 0.25000 0.01750 0.00836 Al1 0.28470 0.00000 0.25000 0.03050 0.00836 O 0.13740 0.13770 0.90990 1.00000 0.01191