data_global _chemical_name_mineral 'Columbite-(Mn)' loop_ _publ_author_name 'Tarantino S C' 'Zema M' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1291 _journal_page_last 1300 _publ_section_title ; Mixing and ordering behavior in manganocolumbite-ferrocolumbite solid solution: A single-crystal X-ray diffraction study Sample: KRA n3p Qm=1 from Kragero, Norway ; _database_code_amcsd 0003850 _chemical_formula_sum 'Fe.806 Mn.148 Ti.08 Ca.008 Sn.003 Sc.001 Nb1.802 Ta.152 O6' _cell_length_a 14.4003 _cell_length_b 5.7501 _cell_length_c 5.0784 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 420.508 _exptl_crystal_density_diffrn 5.507 _symmetry_space_group_name_H-M 'P b c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' '-x,-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 FeA 0.00000 0.31956 0.25000 0.80600 0.00740 MnA 0.00000 0.31956 0.25000 0.14800 0.00740 TiA 0.00000 0.31956 0.25000 0.03400 0.00740 CaA 0.00000 0.31956 0.25000 0.00800 0.00740 SnA 0.00000 0.31956 0.25000 0.00300 0.00740 ScA 0.00000 0.31956 0.25000 0.00100 0.00740 NbB 0.16254 0.17972 0.73927 0.90100 0.00560 TaB 0.16254 0.17972 0.73927 0.07600 0.00560 TiB 0.16254 0.17972 0.73927 0.02300 0.00560 O1 0.09818 0.09910 0.05810 1.00000 0.00840 O2 0.41740 0.11640 0.09690 1.00000 0.00920 O3 0.75611 0.12650 0.09000 1.00000 0.00730