data_global _chemical_name_mineral 'Batiferrite' loop_ _publ_author_name 'Lengauer C L' 'Tillmanns E' 'Hentschel G' _journal_name_full 'Mineralogy and Petrology' _journal_volume 71 _journal_year 2001 _journal_page_first 1 _journal_page_last 19 _publ_section_title ; Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral from the Quaternary volcanic rocks of the western Eifel area, Germany Note: z-coordinate of A-site altered because it was obviously a typo ; _database_code_amcsd 0014645 _chemical_compound_source 'Quaternary volcanic rocks of the western Eifel area, Germany' _chemical_formula_sum '(Ba.84 Na.06 K.05 Sr.05) Fe9.363 Mg.305 Ti2.328 O19' _cell_length_a 5.909 _cell_length_b 5.909 _cell_length_c 23.369 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 706.641 _exptl_crystal_density_diffrn 5.023 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-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 BaA 0.33333 0.66667 0.75000 0.84000 0.00930 NaA 0.33333 0.66667 0.75000 0.06000 0.00930 KA 0.33333 0.66667 0.75000 0.05000 0.00930 SrA 0.33333 0.66667 0.75000 0.05000 0.00930 Fe1 0.00000 0.00000 0.00000 0.86500 0.00570 Mg1 0.00000 0.00000 0.00000 0.13500 0.00570 Fe2 0.00000 0.00000 0.25970 0.48500 0.00900 Mg2 0.00000 0.00000 0.25970 0.01500 0.00900 Fe3 0.33333 0.66667 0.02618 1.00000 0.00620 Ti4 0.33333 0.66667 0.18971 0.55800 0.00620 Fe4 0.33333 0.66667 0.18971 0.37000 0.00620 Mg4 0.33333 0.66667 0.18971 0.07000 0.00620 Fe5 0.16780 0.33560 -0.10726 0.79800 0.00760 Ti5 0.16780 0.33560 -0.10726 0.20200 0.00760 O1 0.00000 0.00000 0.15290 1.00000 0.01300 O2 0.33333 0.66667 -0.05660 1.00000 0.01100 O3 0.18360 0.36720 0.25000 1.00000 0.01400 O4 0.15320 0.30640 0.05300 1.00000 0.01200 O5 0.50030 0.00060 0.15090 1.00000 0.01400 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 BaA 0.00990 0.00990 0.00830 0.00495 0.00000 0.00000 NaA 0.00990 0.00990 0.00830 0.00495 0.00000 0.00000 KA 0.00990 0.00990 0.00830 0.00495 0.00000 0.00000 SrA 0.00990 0.00990 0.00830 0.00495 0.00000 0.00000 Fe1 0.00650 0.00650 0.00400 0.00285 0.00000 0.00000 Mg1 0.00650 0.00650 0.00400 0.00285 0.00000 0.00000 Fe2 0.00440 0.00440 0.01800 0.00220 0.00000 0.00000 Mg2 0.00440 0.00440 0.01800 0.00220 0.00000 0.00000 Fe3 0.00610 0.00610 0.00640 0.00305 0.00000 0.00000 Ti4 0.00630 0.00630 0.00590 0.00315 0.00000 0.00000 Fe4 0.00630 0.00630 0.00590 0.00315 0.00000 0.00000 Mg4 0.00630 0.00630 0.00590 0.00315 0.00000 0.00000 Fe5 0.00710 0.00850 0.00770 0.00425 0.00030 0.00060 Ti5 0.00710 0.00850 0.00770 0.00425 0.00030 0.00060 O1 0.01400 0.01400 0.00900 0.00700 0.00000 0.00000 O2 0.01100 0.01100 0.01000 0.00550 0.00000 0.00000 O3 0.01500 0.02000 0.00900 0.01000 0.00000 0.00000 O4 0.01300 0.01200 0.01000 0.00600 0.00050 0.00100 O5 0.01400 0.01300 0.01500 0.00650 0.00050 0.00100