data_global _chemical_name_mineral 'Bobfergusonite' loop_ _publ_author_name 'Ercit T S' 'Hawthorne F C' 'Cerny P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 24 _journal_year 1986 _journal_page_first 605 _journal_page_last 614 _publ_section_title ; The crystal structure of bobfergusonite. ; _database_code_amcsd 0005212 _chemical_formula_sum 'Mn4.28 Fe.84 Al1.38 Mg.09 Zn.05 Ca.19 Na2 P6 O24' _cell_length_a 12.776 _cell_length_b 12.488 _cell_length_c 11.035 _cell_angle_alpha 90 _cell_angle_beta 97.2 _cell_angle_gamma 90 _cell_volume 1746.715 _exptl_crystal_density_diffrn 3.606 _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 MnM1 0.13194 0.23856 -0.00190 0.92000 0.01380 MnM2 0.62989 0.23753 -0.00107 0.91000 0.01370 MnM3 0.29562 0.14643 0.72421 0.82000 0.01130 FeM3 0.29562 0.14643 0.72421 0.06000 0.01130 AlM3 0.29562 0.14643 0.72421 0.12000 0.01130 MnM4 0.79574 0.14588 0.72617 0.82000 0.01250 FeM4 0.79574 0.14588 0.72617 0.06000 0.01250 AlM4 0.79574 0.14588 0.72617 0.12000 0.01250 FeM5 0.46125 0.16153 0.27999 0.48000 0.01080 AlM5 0.46125 0.16153 0.27999 0.34000 0.01080 FeM5 0.46125 0.16153 0.27999 0.04000 0.01080 MgM5 0.46125 0.16153 0.27999 0.09000 0.01080 ZnM5 0.46125 0.16153 0.27999 0.05000 0.01080 AlM6 0.96067 0.16220 0.27950 0.80000 0.00980 FeM6 0.96067 0.16220 0.27950 0.20000 0.00980 MnX1 0.24944 0.00103 -0.00188 0.81000 0.02800 CaX1 0.24944 0.00103 -0.00188 0.19000 0.02800 NaX2 0.00000 0.00000 0.00000 0.85000 0.03090 NaX3 0.50000 0.00000 0.00000 0.81000 0.03070 NaX4 0.37340 0.01690 0.49720 0.59000 0.04440 NaX5 0.87380 0.01660 0.50040 0.58000 0.03770 P1 0.38160 0.21830 0.00330 1.00000 0.01020 P2 0.88260 0.21520 0.00670 1.00000 0.01050 P3 0.20130 0.11410 0.25780 1.00000 0.01050 P4 0.70410 0.11340 0.25980 1.00000 0.01090 P5 0.05970 0.09570 0.73840 1.00000 0.01180 P6 0.55880 0.10000 0.74000 1.00000 0.01220 O1 0.29800 0.21050 0.54600 1.00000 0.01520 O2 0.79790 0.20810 0.54580 1.00000 0.01590 O3 0.46550 0.21820 0.45030 1.00000 0.01630 O4 0.96370 0.21410 0.44570 1.00000 0.01290 O5 0.32900 0.36980 0.41820 1.00000 0.02250 O6 0.82670 0.36660 0.41510 1.00000 0.02150 O7 0.44260 0.35080 0.61020 1.00000 0.02270 O8 0.94440 0.34750 0.60480 1.00000 0.02430 O9 0.11250 0.17200 0.31510 1.00000 0.01530 O10 0.61800 0.17430 0.31820 1.00000 0.01720 O11 0.13430 0.15220 0.65920 1.00000 0.02260 O12 0.63570 0.15440 0.66130 1.00000 0.02270 O13 0.10980 0.41020 0.37290 1.00000 0.01820 O14 0.61160 0.41330 0.37130 1.00000 0.01950 O15 0.17140 0.40220 0.62150 1.00000 0.01420 O16 0.67090 0.40050 0.61970 1.00000 0.01560 O17 0.30110 0.18510 0.27650 1.00000 0.01710 O18 0.80560 0.18190 0.27530 1.00000 0.01610 O19 0.45910 0.17100 0.73700 1.00000 0.01650 O20 0.95960 0.16420 0.73510 1.00000 0.01010 O21 0.27760 0.50800 0.17850 1.00000 0.02790 O22 0.77730 0.50720 0.17570 1.00000 0.02640 O23 0.46510 0.48460 0.81490 1.00000 0.02080 O24 0.97170 0.49000 0.81500 1.00000 0.02470