data_global _chemical_name_mineral 'Ferrihollandite' loop_ _publ_author_name 'Biagioni C' 'Capalbo C' 'Lezzerini M' 'Pasero M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 26 _journal_year 2014 _journal_page_first 171 _journal_page_last 178 _publ_section_title ; Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy: description and crystal structure ; _database_code_amcsd 0020150 _chemical_compound_source 'Apuan Alps, Tuscany, Italy' _chemical_formula_sum 'Ba.507 Mn3.492 Fe.508 O8' _cell_length_a 10.0001 _cell_length_b 5.7465 _cell_length_c 9.8076 _cell_angle_alpha 90 _cell_angle_beta 90.713 _cell_angle_gamma 90 _cell_volume 563.556 _exptl_crystal_density_diffrn 4.925 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,1/2-z' '1/2+x,-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 Ba1 0.75000 0.37550 0.25000 0.21800 0.02570 Ba2 0.75000 -0.12788 0.25000 0.79700 0.01510 Mn1 0.10173 0.62505 0.08303 1.00000 0.00730 Mn2 0.41422 0.37508 0.09836 1.00000 0.00730 Mn3 0.41348 -0.12490 0.09585 0.74600 0.00680 Fe3 0.41348 -0.12490 0.09585 0.25400 0.00680 Mn4 0.09917 0.12489 0.08389 0.74600 0.00670 Fe4 0.09917 0.12489 0.08389 0.25400 0.00670 O1 0.90690 0.62960 0.04970 1.00000 0.00950 O2 0.45590 0.37100 -0.09770 1.00000 0.00940 O3 0.54560 0.12060 0.09730 1.00000 0.00890 O4 0.40950 -0.12400 0.29000 1.00000 0.00980 O5 0.09160 0.37340 0.20820 1.00000 0.01000 O6 0.29000 0.12460 0.07540 1.00000 0.01000 O7 0.09280 0.87900 -0.05120 1.00000 0.00930 O8 0.29180 0.62660 0.07790 1.00000 0.01010 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 Ba1 0.02780 0.02490 0.02430 0.00000 0.00190 0.00000 Ba2 0.01770 0.01300 0.01460 0.00000 0.00070 0.00000 Mn1 0.01020 0.00280 0.00890 0.00000 0.00070 0.00010 Mn2 0.01080 0.00310 0.00800 0.00020 0.00100 0.00010 Mn3 0.00980 0.00300 0.00750 0.00020 0.00080 0.00010 Fe3 0.00980 0.00300 0.00750 0.00020 0.00080 0.00010 Mn4 0.00970 0.00280 0.00780 0.00010 0.00080 0.00010 Fe4 0.00970 0.00280 0.00780 0.00010 0.00080 0.00010 O1 0.01320 0.00660 0.00860 0.00240 -0.00040 0.00220 O2 0.01120 0.00540 0.01170 0.00240 -0.00090 0.00070 O3 0.01040 0.00580 0.01060 0.00120 -0.00060 0.00010 O4 0.01850 0.00330 0.00750 -0.00040 0.00100 -0.00030 O5 0.01880 0.00290 0.00820 -0.00020 0.00210 -0.00120 O6 0.00920 0.00430 0.00160 0.00010 0.00030 -0.00050 O7 0.01260 0.00660 0.00860 0.00240 -0.00080 0.00100 O8 0.01010 0.00440 0.01580 -0.00110 0.00010 -0.00040