data_global _chemical_name_mineral 'Anandite' loop_ _publ_author_name 'Filut M A' 'Rule A C' 'Bailey S W' _journal_name_full 'American Mineralogist' _journal_volume 70 _journal_year 1985 _journal_page_first 1298 _journal_page_last 1308 _publ_section_title ; Crystal structure refinement of anandite-2Or, a barium- and sulfur-bearing trioctahedral mica ; _database_code_amcsd 0001004 _chemical_formula_sum '(Ba1.91 K.064 Na.026) Mg.61 Fe7.82 Al.21 Mn.16 Si5.2 O22 S2 H4' _cell_length_a 5.439 _cell_length_b 9.509 _cell_length_c 19.878 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1028.079 _exptl_crystal_density_diffrn 4.192 _symmetry_space_group_name_H-M 'P n m n' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' 'x,-y,z' '-x,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 Ba 0.66790 0.00000 0.25530 0.95500 0.02584 K 0.66790 0.00000 0.25530 0.03200 0.02584 Na 0.66790 0.00000 0.25530 0.01300 0.02584 MgM1 0.00000 0.00000 0.00000 0.53000 0.00925 FeM1 0.00000 0.00000 0.00000 0.40000 0.00925 AlM1 0.00000 0.00000 0.00000 0.07000 0.00925 FeM2 0.50000 0.50000 0.00000 1.00000 0.01051 FeM3 0.00000 0.65590 0.00000 1.00000 0.01115 FeM4 0.50000 0.16900 0.00000 0.81000 0.01013 MgM4 0.50000 0.16900 0.00000 0.04000 0.01013 MnM4 0.50000 0.16900 0.00000 0.08000 0.01013 AlM4 0.50000 0.16900 0.00000 0.07000 0.01013 SiT1 0.16650 0.16170 0.13870 1.00000 0.00874 SiT2 0.67010 0.66670 0.14030 0.30000 0.01393 FeT2 0.67010 0.66670 0.14030 0.70000 0.01393 O1 0.15930 0.16250 0.05760 1.00000 0.00950 O2 0.67620 0.66880 0.05060 1.00000 0.01330 O3 0.41240 0.22930 0.17060 1.00000 0.02989 O4 0.92640 0.76710 0.17340 1.00000 0.02736 O5 0.16380 0.00000 0.16560 1.00000 0.05003 O6 0.66210 0.50000 0.18110 1.00000 0.03344 O-H 0.66740 0.00000 0.05090 1.00000 0.01216 S 0.16650 0.50000 0.08380 1.00000 0.02381 HS 0.67090 0.00000 0.09030 1.00000 0.02533 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 Ba 0.02503 0.04169 0.01001 0.00000 0.00000 0.00000 K 0.02503 0.04169 0.01001 0.00000 0.00000 0.00000 Na 0.02503 0.04169 0.01001 0.00000 0.00000 0.00000 MgM1 0.01034 0.01054 0.00801 0.00000 0.00055 0.00000 FeM1 0.01034 0.01054 0.00801 0.00000 0.00055 0.00000 AlM1 0.01034 0.01054 0.00801 0.00000 0.00055 0.00000 FeM2 0.01424 0.01008 0.00801 0.00000 -0.00164 0.00000 FeM3 0.00959 0.01741 0.00601 0.00000 0.00055 0.00000 FeM4 0.01169 0.01008 0.00801 0.00000 0.00000 0.00000 MgM4 0.01169 0.01008 0.00801 0.00000 0.00000 0.00000 MnM4 0.01169 0.01008 0.00801 0.00000 0.00000 0.00000 AlM4 0.01169 0.01008 0.00801 0.00000 0.00000 0.00000 SiT1 0.01379 0.00962 0.00200 0.00000 0.00000 0.00000 SiT2 0.01469 0.02016 0.00601 0.00052 0.00000 0.00192 FeT2 0.01469 0.02016 0.00601 0.00052 0.00000 0.00192 O1 0.01379 0.01099 0.00400 0.00000 0.00219 0.00000 O2 0.00899 0.01328 0.01802 -0.00105 0.00274 0.00287 O3 0.02818 0.04581 0.01601 -0.01048 -0.00931 0.00287 O4 0.02563 0.04535 0.01201 -0.01048 0.00876 0.00383 O5 0.13009 0.01237 0.00801 0.00000 0.00000 0.00000 O6 0.02668 0.05818 0.01601 0.00000 0.00110 0.00000 S 0.01634 0.01374 0.00801 0.00000 -0.00055 0.00000