data_global _chemical_name_mineral 'Ferrobobfergusonite' loop_ _publ_author_name 'Yang H' 'Yong T' 'Downs R T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 59 _journal_year 2021 _journal_page_first 617 _journal_page_last 627 _publ_section_title ; Ferrobobfergusonite, []Na2Fe2+5Fe3+Al(PO4)6, a new mineral of the bobfergusonite group from the Victory mine, Custer County, South Dakota, USA ; _database_code_amcsd 0020973 _chemical_compound_source 'Victory mine, Custer County, South Dakota, USA' _chemical_formula_sum 'Mn1.8 Fe8.58 Na2.64 Ba.8 Ca.28 Mg.88 Al2.46 P12 O48' _cell_length_a 12.7156 _cell_length_b 12.3808 _cell_length_c 10.9347 _cell_angle_alpha 90 _cell_angle_beta 97.3320 _cell_angle_gamma 90 _cell_volume 1707.367 _exptl_crystal_density_diffrn 3.865 _symmetry_space_group_name_H-M 'P 1 21/n 1' 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' '-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 Mn2+X1 0.24875 0.00126 0.00345 0.90000 0.01523 Fe2+X1 0.24875 0.00126 0.00345 0.10000 0.01523 NaX2 0.00000 0.00000 0.00000 0.84000 0.02260 BaX3 0.50000 0.00000 0.00000 0.80000 0.02360 NaX4 0.37460 0.48490 0.00230 0.48000 0.02880 NaX5 0.87200 0.48340 0.99810 0.42000 0.03000 Fe2+M1 0.13395 0.23974 0.00254 1.00000 0.01410 Fe2+M2 0.63120 0.23856 0.00088 0.86000 0.01286 CaM2 0.63120 0.23856 0.00088 0.14000 0.01286 Fe2+M3 0.29732 0.14659 0.72106 0.91000 0.00913 MgM3 0.29732 0.14659 0.72106 0.09000 0.00913 Fe2+M4 0.79816 0.14605 0.72413 0.65000 0.00899 Fe3+M4 0.79816 0.14605 0.72413 0.14000 0.00899 MgM4 0.79816 0.14605 0.72413 0.21000 0.00899 Fe3+M5 0.46178 0.16315 0.28258 0.63000 0.00835 AlM5 0.46178 0.16315 0.28258 0.23000 0.00835 MgM5 0.46178 0.16315 0.28258 0.14000 0.00835 AlM6 0.96052 0.16443 0.28184 1.00000 0.00658 P1 0.38360 0.21556 0.00338 1.00000 0.00702 P2 0.88417 0.21112 0.00827 1.00000 0.00722 P3 0.20133 0.11569 0.25635 1.00000 0.00718 P4 0.70635 0.11457 0.26059 1.00000 0.00758 P5 0.06162 0.09505 0.73827 1.00000 0.00745 P6 0.56125 0.10147 0.74018 1.00000 0.00826 O1 0.29750 0.21411 0.54457 1.00000 0.01180 O2 0.79781 0.21069 0.54424 1.00000 0.01050 O3 0.46875 0.22231 0.45197 1.00000 0.00910 O4 0.96592 0.21564 0.44507 1.00000 0.01030 O5 0.33237 0.37611 0.41891 1.00000 0.01280 O6 0.83020 0.37161 0.41542 1.00000 0.01330 O7 0.44374 0.35386 0.61477 1.00000 0.01160 O8 0.94723 0.34897 0.60681 1.00000 0.01300 O9 0.11093 0.17213 0.31460 1.00000 0.01020 O10 0.62009 0.17579 0.32045 1.00000 0.01150 O11 0.13521 0.15272 0.65701 1.00000 0.01490 O12 0.63852 0.15543 0.66077 1.00000 0.01360 O13 0.11352 0.40808 0.37495 1.00000 0.01440 O14 0.61424 0.41176 0.37252 1.00000 0.01380 O15 0.17375 0.39902 0.62059 1.00000 0.01250 O16 0.67189 0.39669 0.61593 1.00000 0.01090 O17 0.30128 0.18800 0.27820 1.00000 0.01060 O18 0.80843 0.18395 0.27730 1.00000 0.01020 O19 0.46200 0.17423 0.73747 1.00000 0.01100 O20 0.95937 0.16283 0.73461 1.00000 0.01140 O21 0.27843 0.50750 0.18225 1.00000 0.01720 O22 0.77621 0.50724 0.17632 1.00000 0.01640 O23 0.46465 0.48191 0.81526 1.00000 0.01160 O24 0.97046 0.49089 0.81410 1.00000 0.01460 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 Mn2+X1 0.02410 0.00845 0.01604 0.00254 0.01370 0.00222 Fe2+X1 0.02410 0.00845 0.01604 0.00254 0.01370 0.00222 NaX2 0.02610 0.01500 0.03050 0.00200 0.01800 0.00100 BaX3 0.02810 0.01330 0.03400 0.00200 0.02140 0.00010 NaX4 0.04400 0.02860 0.01550 0.00260 0.00920 0.00180 NaX5 0.04500 0.02990 0.01660 0.00080 0.01030 0.00010 Fe2+M1 0.01130 0.01800 0.01250 0.00049 0.00043 0.00207 Fe2+M2 0.01110 0.01500 0.01170 0.00186 0.00160 0.00093 CaM2 0.01110 0.01500 0.01170 0.00186 0.00160 0.00093 Fe2+M3 0.00830 0.00830 0.01030 0.00131 0.00085 0.00126 MgM3 0.00830 0.00830 0.01030 0.00131 0.00085 0.00126 Fe2+M4 0.00860 0.00800 0.00990 0.00024 0.00075 0.00091 Fe3+M4 0.00860 0.00800 0.00990 0.00024 0.00075 0.00091 MgM4 0.00860 0.00800 0.00990 0.00024 0.00075 0.00091 Fe3+M5 0.00770 0.01030 0.00690 0.00055 0.00043 0.00155 AlM5 0.00770 0.01030 0.00690 0.00055 0.00043 0.00155 MgM5 0.00770 0.01030 0.00690 0.00055 0.00043 0.00155 AlM6 0.00620 0.00820 0.00530 0.00040 0.00090 0.00090 P1 0.00670 0.00790 0.00680 0.00030 0.00190 0.00030 P2 0.00700 0.00850 0.00660 0.00020 0.00240 0.00010 P3 0.00700 0.00680 0.00800 0.00000 0.00210 0.00010 P4 0.00730 0.00720 0.00880 0.00000 0.00310 0.00030 P5 0.00660 0.00770 0.00820 0.00010 0.00170 0.00070 P6 0.00670 0.00960 0.00870 0.00050 0.00180 0.00000 O1 0.01010 0.01430 0.01190 0.00430 0.00470 0.00040 O2 0.00940 0.01220 0.01000 0.00260 0.00220 0.00060 O3 0.00580 0.01320 0.00860 0.00150 0.00160 0.00010 O4 0.00970 0.01210 0.00950 0.00290 0.00270 0.00080 O5 0.01440 0.01250 0.01140 0.00590 0.00190 0.00160 O6 0.01560 0.01200 0.01270 0.00570 0.00310 0.00130 O7 0.01460 0.01340 0.00720 0.00450 0.00250 0.00100 O8 0.01770 0.01270 0.00860 0.00490 0.00210 0.00100 O9 0.00870 0.01210 0.01030 0.00170 0.00270 0.00090 O10 0.01140 0.01030 0.01380 0.00220 0.00600 0.00020 O11 0.01410 0.01200 0.02090 0.00010 0.01060 0.00340 O12 0.01130 0.01210 0.01920 0.00080 0.00920 0.00310 O13 0.01440 0.01560 0.01220 0.00080 0.00190 0.00030 O14 0.01390 0.01390 0.01250 0.00010 0.00280 0.00060 O15 0.01230 0.01450 0.01100 0.00140 0.00270 0.00360 O16 0.01230 0.01170 0.00860 0.00160 0.00130 0.00180 O17 0.00780 0.01380 0.00990 0.00180 0.00020 0.00180 O18 0.00700 0.01250 0.01130 0.00010 0.00190 0.00060 O19 0.00700 0.01470 0.01160 0.00090 0.00180 0.00040 O20 0.00730 0.01440 0.01270 0.00200 0.00230 0.00060 O21 0.01970 0.01070 0.02170 0.00430 0.00470 0.00530 O22 0.01860 0.00940 0.02220 0.00360 0.00650 0.00390 O23 0.01420 0.00960 0.01070 0.00170 0.00030 0.00050 O24 0.01540 0.01260 0.01620 0.00360 0.00350 0.00180