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: RIO n5 Qm=1 from Rio Arriba Co., Globe Mine, U.S.A. ; _database_code_amcsd 0003849 _chemical_formula_sum 'Fe.534 Mn.457 Ti.063 Sn.001 Ca.001 Nb1.836 Ta.094 W.014 O6' _cell_length_a 14.3434 _cell_length_b 5.7415 _cell_length_c 5.0665 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 417.240 _exptl_crystal_density_diffrn 5.480 _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 0.32435 0.25000 0.53400 0.00790 MnA 0.00000 0.32435 0.25000 0.45700 0.00790 TiA 0.00000 0.32435 0.25000 0.00700 0.00790 SnA 0.00000 0.32435 0.25000 0.00100 0.00790 CaA 0.00000 0.32435 0.25000 0.00100 0.00790 NbB 0.16206 0.17992 0.74297 0.91800 0.00630 TaB 0.16206 0.17992 0.74297 0.04700 0.00630 TiB 0.16206 0.17992 0.74297 0.02800 0.00630 WB 0.16206 0.17992 0.74297 0.00700 0.00630 O1 0.09738 0.10110 0.06330 1.00000 0.00840 O2 0.08183 0.38420 0.59630 1.00000 0.00980 O3 0.24378 0.12460 0.41380 1.00000 0.00800