data_global _chemical_name_mineral 'Jahnsite-(NaFeMg)' loop_ _publ_author_name 'Kampf A R' 'Steele I M' 'Loomis T A' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 940 _journal_page_last 945 _publ_section_title ; Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County, South Dakota: Description and crystal structure ; _database_code_amcsd 0004587 _chemical_compound_source 'Tip Top mine, Custer County, South Dakota' _chemical_formula_sum 'Na Fe3 Mg2 P4 O26 H18' _cell_length_a 15.0811 _cell_length_b 7.1403 _cell_length_c 9.8299 _cell_angle_alpha 90 _cell_angle_beta 110.445 _cell_angle_gamma 90 _cell_volume 991.841 _exptl_crystal_density_diffrn 2.669 _symmetry_space_group_name_H-M 'P 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,-z' '1/2+x,-y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.25000 0.97010 0.00000 0.02030 Fe1 0.25000 0.47130 0.00000 0.00830 Mg1 0.50000 0.00000 0.50000 0.01250 Mg2 0.25000 0.50570 0.50000 0.01110 Fe2 0.00000 0.00000 0.00000 0.00840 Fe3 0.00000 0.50000 0.00000 0.00850 P1 0.18700 0.26770 0.18560 0.00890 P2 0.08000 0.74190 0.79630 0.00930 O1 0.27890 0.25100 0.14890 0.01570 O2 0.20820 0.31030 0.34350 0.01870 O3 0.12640 0.09290 0.14110 0.01760 O4 0.14050 0.43780 0.08100 0.01200 O5 0.18370 0.66820 0.85990 0.01650 O6 0.05740 0.78220 0.63640 0.01490 O7 0.07500 0.92170 0.87770 0.01660 O8 0.01260 0.59280 0.81730 0.01330 O-h 0.02740 0.75090 0.09920 0.01400 OW1 0.22720 0.72640 0.34200 0.02700 OW2 0.44840 0.21260 0.34820 0.02980 OW3 0.62690 0.98690 0.45650 0.02850 OW4 0.39070 0.51520 0.51610 0.02110 HOh 0.99600 0.74900 0.16200 0.05000 H1a 0.25800 0.71700 0.27800 0.05000 H1b 0.16700 0.74800 0.29300 0.05000 H2a 0.43400 0.29800 0.40500 0.05000 H2b 0.39500 0.20100 0.26900 0.05000 H3a 0.61800 0.04600 0.37100 0.05000 H3b 0.65900 0.88400 0.45200 0.05000 H4a 0.41600 0.60500 0.47800 0.05000 H4b 0.42500 0.49100 0.60600 0.05000 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 Na 0.02040 0.01360 0.02040 0.00000 -0.00120 0.00000 Fe1 0.00670 0.00960 0.00880 0.00000 0.00310 0.00000 Mg1 0.01310 0.01160 0.01160 -0.00040 0.00270 -0.00240 Mg2 0.01240 0.01200 0.00880 0.00000 0.00340 0.00000 Fe2 0.00950 0.00620 0.00980 0.00000 0.00370 -0.00060 Fe3 0.00800 0.00720 0.01040 0.00010 0.00360 0.00070 P1 0.00820 0.00940 0.00850 -0.00030 0.00230 -0.00090 P2 0.00890 0.01000 0.00910 0.00120 0.00340 0.00070 O1 0.00900 0.02100 0.01800 0.00500 0.00500 0.00400 O2 0.02300 0.02000 0.01400 0.00100 0.00700 -0.00100 O3 0.01600 0.01300 0.01900 -0.00500 0.00000 -0.00100 O4 0.00900 0.01400 0.01300 0.00100 0.00400 0.00300 O5 0.01000 0.02200 0.01700 0.00400 0.00400 0.00400 O6 0.02000 0.01300 0.01100 0.00100 0.00500 0.00300 O7 0.02100 0.01400 0.01900 -0.00200 0.01200 -0.00300 O8 0.01300 0.01200 0.01500 -0.00100 0.00600 0.00200 O-h 0.01700 0.01000 0.01700 0.00100 0.00800 -0.00200 OW1 0.03300 0.02700 0.02500 0.01000 0.01500 0.00600 OW2 0.03400 0.02200 0.02000 -0.00300 -0.00600 0.00300 OW3 0.02400 0.02600 0.03900 -0.00100 0.01600 -0.00500 OW4 0.01700 0.02200 0.02400 -0.00200 0.00700 0.00600