data_global _chemical_name_mineral 'Jahnsite-(NaMnMg)' loop_ _publ_author_name 'Kampf A R' 'Elliott P' 'Nash B P' 'Chiappino L' 'Varvello S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 56 _journal_year 2018 _journal_page_first 871 _journal_page_last 882 _publ_section_title ; Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil and the White Rock No. 2 quarry, Australia ; _database_code_amcsd 0020883 _chemical_compound_source 'Sapucaia mine, Brazil' _chemical_formula_sum 'Na.569 Ca.277 Mn.961 Fe2.454 Mg1.545 Al.164 P4 O26 H18' _cell_length_a 15.1045 _cell_length_b 7.1629 _cell_length_c 9.8949 _cell_angle_alpha 90 _cell_angle_beta 110.640 _cell_angle_gamma 90 _cell_volume 1001.835 _exptl_crystal_density_diffrn 2.698 _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_occupancy _atom_site_U_iso_or_equiv NaX 0.25000 0.97021 0.00000 0.56900 0.02640 CaX 0.25000 0.97021 0.00000 0.27700 0.02640 MnX 0.25000 0.97021 0.00000 0.15400 0.02640 MnM1 0.25000 0.47232 0.00000 0.60100 0.01254 FeM1 0.25000 0.47232 0.00000 0.37500 0.01254 MgM1 0.25000 0.47232 0.00000 0.02400 0.01254 MgM2a 0.50000 0.00000 0.50000 0.71200 0.01740 MnM2a 0.50000 0.00000 0.50000 0.15100 0.01740 FeM2a 0.50000 0.00000 0.50000 0.13700 0.01740 MgM2b 0.25000 0.50365 0.50000 0.80900 0.01400 FeM2b 0.25000 0.50365 0.50000 0.10600 0.01400 MnM2b 0.25000 0.50365 0.50000 0.05500 0.01400 FeM3a 0.00000 0.00000 0.00000 0.89600 0.01090 AlM3a 0.00000 0.00000 0.00000 0.10400 0.01090 FeM3b 0.00000 0.50000 0.00000 0.94000 0.01133 AlM3b 0.00000 0.50000 0.00000 0.06000 0.01133 P1 0.18573 0.26411 0.18734 1.00000 0.01379 P2 0.08097 0.74458 0.79732 1.00000 0.01281 O1 0.27677 0.23990 0.15030 1.00000 0.02960 O2 0.20817 0.30550 0.34430 1.00000 0.02430 O3 0.12452 0.09100 0.14250 1.00000 0.02720 O4 0.13985 0.43430 0.08528 1.00000 0.01740 O5 0.18557 0.67870 0.85800 1.00000 0.02410 O6 0.05501 0.78220 0.63770 1.00000 0.02140 O7 0.07671 0.92390 0.87932 1.00000 0.02180 O8 0.01684 0.59290 0.82168 1.00000 0.02010 O-h 0.02733 0.75080 0.09720 1.00000 0.01740 H 0.00000 0.75200 0.15100 1.00000 0.02600 OW1 0.22565 0.72370 0.34330 1.00000 0.03070 H1A 0.25800 0.72600 0.29200 1.00000 0.03700 H1B 0.17050 0.74600 0.27100 1.00000 0.03700 OW2 0.44911 0.21410 0.34620 1.00000 0.03490 H2A 0.47300 0.23200 0.28400 1.00000 0.04200 H2B 0.39260 0.21400 0.28300 1.00000 0.04200 OW3 0.62887 0.98990 0.45980 1.00000 0.03500 H3A 0.65500 1.00700 0.54100 1.00000 0.04200 H3B 0.64300 0.91400 0.42000 1.00000 0.04200 OW4 0.39097 0.51310 0.51590 1.00000 0.02650 H4A 0.40500 0.59100 0.47800 1.00000 0.03200 H4B 0.42500 0.47700 0.58700 1.00000 0.03200 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 NaX 0.02600 0.01730 0.02780 0.00000 -0.00050 0.00000 CaX 0.02600 0.01730 0.02780 0.00000 -0.00050 0.00000 MnX 0.02600 0.01730 0.02780 0.00000 -0.00050 0.00000 MnM1 0.01140 0.01300 0.01400 0.00000 0.00550 0.00000 FeM1 0.01140 0.01300 0.01400 0.00000 0.00550 0.00000 MgM1 0.01140 0.01300 0.01400 0.00000 0.00550 0.00000 MgM2a 0.01790 0.01470 0.01680 0.00000 0.00270 -0.00420 MnM2a 0.01790 0.01470 0.01680 0.00000 0.00270 -0.00420 FeM2a 0.01790 0.01470 0.01680 0.00000 0.00270 -0.00420 MgM2b 0.01420 0.01470 0.01330 0.00000 0.00500 0.00000 FeM2b 0.01420 0.01470 0.01330 0.00000 0.00500 0.00000 MnM2b 0.01420 0.01470 0.01330 0.00000 0.00500 0.00000 FeM3a 0.01080 0.00800 0.01330 -0.00013 0.00360 -0.00082 AlM3a 0.01080 0.00800 0.01330 -0.00013 0.00360 -0.00082 FeM3b 0.01080 0.00920 0.01490 -0.00015 0.00570 -0.00010 AlM3b 0.01080 0.00920 0.01490 -0.00015 0.00570 -0.00010 P1 0.01170 0.01510 0.01340 0.00080 0.00300 -0.00210 P2 0.01230 0.01360 0.01290 0.00140 0.00490 0.00080 O1 0.01880 0.04770 0.02250 0.01340 0.00740 0.00490 O2 0.03200 0.02390 0.01590 0.00040 0.00700 -0.00310 O3 0.02520 0.01720 0.02720 -0.00170 -0.00570 0.00130 O4 0.01160 0.01620 0.02330 0.00040 0.00470 -0.00100 O5 0.01480 0.03290 0.02320 0.00710 0.00500 0.00170 O6 0.02740 0.01930 0.01590 0.00120 0.00560 0.00270 O7 0.02810 0.01680 0.02690 -0.00240 0.01770 -0.00220 O8 0.02300 0.01820 0.02190 -0.00200 0.01140 0.00030 O-h 0.02040 0.01250 0.02040 0.00060 0.00860 -0.00070 OW1 0.03800 0.03060 0.02860 0.00910 0.01820 0.00680 OW2 0.03640 0.03020 0.02490 -0.00550 -0.00570 0.00340 OW3 0.03320 0.03150 0.04400 -0.00260 0.01830 -0.01240 OW4 0.01990 0.02680 0.03270 -0.00120 0.00930 0.00940