data_global _chemical_name_mineral 'Ferrocolumbite' 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: AMB n3 Qm=1 from Ambatofotsikely, Madagascar ; _database_code_amcsd 0003827 _chemical_formula_sum 'Fe.462 Mn.476 Sc.045 Ti.116 Sn.004 Ca.001 Nb1.806 Ta.086 W.004 O6' _cell_length_a 14.3267 _cell_length_b 5.7392 _cell_length_c 5.0674 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 416.661 _exptl_crystal_density_diffrn 5.422 _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 0.32531 0.25000 0.46200 0.00810 MnA 0.00000 0.32531 0.25000 0.47600 0.00810 ScA 0.00000 0.32531 0.25000 0.04500 0.00810 TiA 0.00000 0.32531 0.25000 0.01200 0.00810 SnA 0.00000 0.32531 0.25000 0.00400 0.00810 CaA 0.00000 0.32531 0.25000 0.00100 0.00810 NbB 0.16211 0.17965 0.74368 0.90300 0.00600 TaB 0.16211 0.17965 0.74368 0.04300 0.00600 TiB 0.16211 0.17965 0.74368 0.05200 0.00600 WB 0.16211 0.17965 0.74368 0.00200 0.00600 O1 0.09742 0.10250 0.06410 1.00000 0.00680 O2 0.08143 0.38350 0.59740 1.00000 0.00870 O3 0.24383 0.12390 0.41380 1.00000 0.00690