data_global _chemical_name_mineral 'Manganoarrojadite-(KNa)' loop_ _publ_author_name 'Lykova I' 'Rowe R' 'Poirier G' 'Helwig K' 'Friis H' _journal_name_full 'Mineralogical Magazine' _journal_volume 84 _journal_year 2020 _journal_page_first 932 _journal_page_last 940 _publ_section_title ; Manganoarrojadite-(KNa), KNa5MnFe13Al(PO4)11(PO3OH)(OH)2, a new arrojadite-group mineral from the Palermo No. 1 mine, New Hampshire, USA ; _database_code_amcsd 0020956 _chemical_compound_source 'Palermo No. 1 mine, New Hampshire, USA' _chemical_formula_sum 'K.874 Na4.752 Mn3.68 Ca.12 Fe9.1 Mg1.1 Al P12 O50' _cell_length_a 16.5345 _cell_length_b 10.04057 _cell_length_c 24.6261 _cell_angle_alpha 90 _cell_angle_beta 105.891 _cell_angle_gamma 90 _cell_volume 3932.084 _exptl_crystal_density_diffrn 3.520 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 K1 0.99862 0.50858 0.24413 0.87400 0.03520 Na1 0.00400 0.99770 0.99843 1.00000 0.02280 Na2 0.87360 0.48670 0.87784 1.00000 0.04430 Na3 0.29495 0.44590 0.04226 1.00000 0.02770 Na4 0.12151 0.51160 0.12095 1.00000 0.02210 Na5 0.02189 0.81830 0.77109 0.75200 0.02580 Mn 0.23041 0.78586 0.97856 0.88000 0.01277 Ca 0.23041 0.78586 0.97856 0.12000 0.01277 Fe1 0.22726 0.11699 0.97591 0.70000 0.01155 Mn1 0.22726 0.11699 0.97591 0.30000 0.01155 Fe2 0.28938 0.51216 0.22829 0.55000 0.01184 Mn2 0.28938 0.51216 0.22829 0.30000 0.01184 Mg2 0.28938 0.51216 0.22829 0.15000 0.01184 Fe3 0.71499 0.49329 0.76594 0.70000 0.01128 Mn3 0.71499 0.49329 0.76594 0.30000 0.01128 Fe4 0.11254 0.01474 0.13706 0.70000 0.01063 Mg4 0.11254 0.01474 0.13706 0.30000 0.01063 Fe5 0.89613 0.98862 0.85777 0.70000 0.01060 Mg5 0.89613 0.98862 0.85777 0.30000 0.01060 Fe6 0.02154 0.75148 0.90041 0.90000 0.00914 Mg6 0.02154 0.75148 0.90041 0.10000 0.00914 Fe7 0.97754 0.24724 0.09333 0.85000 0.00769 Mg7 0.97754 0.24724 0.09333 0.15000 0.00769 Fe8 0.96960 0.74714 0.09624 1.00000 0.00800 Fe9 0.03563 0.26024 0.89825 1.00000 0.00847 Fe10 0.20642 0.30592 0.84961 0.60000 0.01099 Mn10 0.20642 0.30592 0.84961 0.40000 0.01099 Fe11 0.29818 0.19937 0.14574 0.40000 0.01431 Mn11 0.29818 0.19937 0.14574 0.60000 0.01431 Fe12 0.28452 0.78871 0.15165 0.60000 0.00970 Mn12 0.28452 0.78871 0.15165 0.30000 0.00970 Mg12 0.28452 0.78871 0.15165 0.10000 0.00970 Fe13 0.22309 0.29804 0.34013 0.40000 0.01247 Mn13 0.22309 0.29804 0.34013 0.60000 0.01247 Al1 0.00363 0.50120 0.99823 1.00000 0.00546 P1 0.11752 0.99477 0.86640 1.00000 0.00653 P2 0.42104 0.49673 0.16091 1.00000 0.00998 P3 0.13261 0.54033 0.92281 1.00000 0.00668 P4 0.87365 0.46858 0.07432 1.00000 0.00595 P5 0.12924 0.25278 0.03774 1.00000 0.00630 P6 0.37905 0.25198 0.96040 1.00000 0.00600 P7 0.10895 0.76482 0.04545 1.00000 0.00644 P8 0.90048 0.23202 0.95247 1.00000 0.00591 P9 0.87083 0.27580 0.78599 1.00000 0.00770 P10 0.13229 0.72527 0.20905 1.00000 0.00690 P11 0.85859 0.70521 0.79109 1.00000 0.00970 P12 0.14301 0.29528 0.20257 1.00000 0.00900 O1 0.48030 0.56130 0.13091 1.00000 0.01360 O2 0.02950 0.94070 0.86616 1.00000 0.01050 O3 0.38930 0.36460 0.13296 1.00000 0.01050 O4 0.11400 0.14720 0.86031 1.00000 0.01100 O5 0.64520 0.42620 0.81890 1.00000 0.01460 O6 0.18260 0.96060 0.92221 1.00000 0.01310 O7 0.47730 0.47320 0.22429 1.00000 0.03130 O8 0.34880 0.58240 0.16510 1.00000 0.02970 O9 0.05090 0.55860 0.94200 1.00000 0.00780 O10 0.95251 0.44580 0.05341 1.00000 0.00800 O11 0.12630 0.40600 0.89316 1.00000 0.01130 O12 0.88240 0.59970 0.10541 1.00000 0.01100 O13 0.12880 0.66120 0.88252 1.00000 0.01120 O14 0.37470 0.84680 0.11179 1.00000 0.01000 O15 0.21190 0.55990 0.97063 1.00000 0.01410 O16 0.29230 0.96690 0.02541 1.00000 0.01080 O17 0.08490 0.16640 0.07187 1.00000 0.01230 O18 0.41810 0.33350 0.92143 1.00000 0.00950 O19 0.09890 0.39750 0.03522 1.00000 0.00910 O20 0.90897 0.60750 0.96329 1.00000 0.00750 O21 0.11160 0.19160 0.97755 1.00000 0.01280 O22 0.40030 0.31660 0.01864 1.00000 0.01120 O23 0.22480 0.24700 0.06207 1.00000 0.01350 O24 0.28190 0.24840 0.93595 1.00000 0.01150 O25 0.05280 0.64200 0.04699 1.00000 0.00810 O26 0.95640 0.35600 0.95192 1.00000 0.00700 O27 0.07450 0.87010 0.07879 1.00000 0.01020 O28 0.93780 0.12910 0.91995 1.00000 0.00940 O29 0.09710 0.81410 0.98479 1.00000 0.01060 O30 0.90520 0.18360 0.01178 1.00000 0.01280 O31 0.20190 0.73530 0.07080 1.00000 0.01230 O32 0.80960 0.26660 0.92154 1.00000 0.01320 O33 0.95270 0.32190 0.82734 1.00000 0.01450 O34 0.05050 0.67920 0.16745 1.00000 0.01170 O35 0.86830 0.67910 0.22681 1.00000 0.01590 O36 0.13810 0.67210 0.26732 1.00000 0.01570 O37 0.86210 0.12330 0.78913 1.00000 0.02280 O38 0.13630 0.87930 0.20893 1.00000 0.01620 O39 0.79670 0.33830 0.80454 1.00000 0.01550 O40 0.20550 0.66870 0.18801 1.00000 0.01560 O41 0.94560 0.66610 0.82875 1.00000 0.01590 O42 0.05990 0.33710 0.16176 1.00000 0.01250 O43 0.84810 0.34920 0.23286 1.00000 0.03960 O44 0.14500 0.34260 0.26156 1.00000 0.02680 O45 0.85250 0.85850 0.79108 1.00000 0.01380 O46 0.15310 0.14360 0.20252 1.00000 0.01390 O47 0.78820 0.64820 0.81551 1.00000 0.02300 O48 0.21590 0.35960 0.18281 1.00000 0.02090 O49 0.23520 0.99570 0.13510 1.00000 0.01900 O50 0.27270 0.50130 0.86372 1.00000 0.01160 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 K1 0.02380 0.03290 0.05620 0.00350 0.02320 0.00550 Na1 0.02830 0.01190 0.02110 0.00470 -0.00510 0.00220 Na2 0.08100 0.01480 0.01820 0.01270 -0.01900 -0.00420 Na3 0.02410 0.03390 0.02090 0.00800 -0.00120 0.00720 Na4 0.03670 0.01270 0.01200 0.00430 -0.00200 0.00050 Na5 0.02200 0.02430 0.02900 -0.00810 0.00350 -0.00360 Mn 0.01240 0.01190 0.01570 -0.00320 0.00690 -0.00250 Ca 0.01240 0.01190 0.01570 -0.00320 0.00690 -0.00250 Fe1 0.00970 0.01050 0.01530 0.00150 0.00480 0.00340 Mn1 0.00970 0.01050 0.01530 0.00150 0.00480 0.00340 Fe2 0.01550 0.00950 0.00860 -0.00190 -0.00010 -0.00060 Mn2 0.01550 0.00950 0.00860 -0.00190 -0.00010 -0.00060 Mg2 0.01550 0.00950 0.00860 -0.00190 -0.00010 -0.00060 Fe3 0.01160 0.01110 0.00960 0.00110 0.00020 0.00030 Mn3 0.01160 0.01110 0.00960 0.00110 0.00020 0.00030 Fe4 0.01150 0.00960 0.01030 0.00050 0.00220 -0.00130 Mg4 0.01150 0.00960 0.01030 0.00050 0.00220 -0.00130 Fe5 0.01070 0.00920 0.01050 -0.00050 0.00070 -0.00080 Mg5 0.01070 0.00920 0.01050 -0.00050 0.00070 -0.00080 Fe6 0.00760 0.00860 0.01120 0.00110 0.00250 0.00160 Mg6 0.00760 0.00860 0.01120 0.00110 0.00250 0.00160 Fe7 0.00760 0.00720 0.00800 0.00110 0.00170 0.00020 Mg7 0.00760 0.00720 0.00800 0.00110 0.00170 0.00020 Fe8 0.00710 0.00920 0.00740 -0.00040 0.00150 0.00030 Fe9 0.00650 0.00940 0.00920 0.00050 0.00160 0.00030 Fe10 0.01170 0.01250 0.00860 -0.00030 0.00240 -0.00010 Mn10 0.01170 0.01250 0.00860 -0.00030 0.00240 -0.00010 Fe11 0.01280 0.02150 0.00760 0.00270 0.00120 -0.00090 Mn11 0.01280 0.02150 0.00760 0.00270 0.00120 -0.00090 Fe12 0.00840 0.01320 0.00720 -0.00270 0.00160 0.00140 Mn12 0.00840 0.01320 0.00720 -0.00270 0.00160 0.00140 Mg12 0.00840 0.01320 0.00720 -0.00270 0.00160 0.00140 Fe13 0.01230 0.01680 0.00770 0.00510 0.00180 -0.00150 Mn13 0.01230 0.01680 0.00770 0.00510 0.00180 -0.00150 Al1 0.00580 0.00530 0.00540 0.00010 0.00180 -0.00010 P1 0.00600 0.00660 0.00710 -0.00010 0.00200 -0.00030 P2 0.01180 0.00900 0.01140 -0.00210 0.00710 -0.00120 P3 0.00640 0.00660 0.00760 0.00020 0.00290 -0.00060 P4 0.00530 0.00670 0.00590 -0.00030 0.00160 0.00060 P5 0.00610 0.00650 0.00670 0.00130 0.00240 0.00070 P6 0.00540 0.00600 0.00640 0.00050 0.00110 0.00070 P7 0.00730 0.00660 0.00550 -0.00100 0.00180 -0.00060 P8 0.00550 0.00500 0.00730 -0.00040 0.00180 -0.00060 P9 0.00810 0.00810 0.00650 0.00010 0.00120 0.00040 P10 0.00700 0.00660 0.00660 0.00050 0.00100 -0.00050 P11 0.01000 0.00690 0.00950 0.00100 -0.00200 -0.00090 P12 0.01070 0.00680 0.00740 0.00090 -0.00100 0.00000 O1 0.01220 0.01180 0.01930 -0.00110 0.00870 0.00080 O2 0.00800 0.00780 0.01690 -0.00040 0.00550 0.00360 O3 0.01120 0.00900 0.01250 -0.00020 0.00530 -0.00240 O4 0.01110 0.00680 0.01670 -0.00110 0.00660 0.00060 O5 0.01920 0.01470 0.01420 -0.00260 0.01160 -0.00630 O6 0.01370 0.01330 0.01010 0.00100 -0.00040 -0.00030 O7 0.04200 0.03900 0.01110 -0.01300 0.00510 0.00150 O8 0.02700 0.01470 0.05700 0.00070 0.02800 -0.00360 O9 0.00900 0.00790 0.00820 0.00060 0.00510 0.00140 O10 0.00720 0.00880 0.00850 0.00180 0.00320 0.00060 O11 0.01030 0.00880 0.01740 -0.00230 0.00820 -0.00330 O12 0.01380 0.00780 0.01280 -0.00060 0.00620 -0.00330 O13 0.01080 0.01080 0.01530 0.00190 0.00920 0.00570 O14 0.01060 0.01100 0.00890 0.00100 0.00370 0.00290 O15 0.01060 0.01870 0.01100 -0.00250 -0.00040 -0.00220 O16 0.00840 0.01120 0.01030 -0.00060 -0.00140 0.00140 O17 0.01280 0.01150 0.01520 0.00190 0.00820 0.00480 O18 0.00970 0.00700 0.01400 0.00080 0.00670 0.00220 O19 0.00820 0.00950 0.00910 0.00220 0.00130 0.00070 O20 0.00830 0.00480 0.00870 0.00100 0.00120 0.00010 O21 0.01720 0.01170 0.00910 0.00500 0.00310 -0.00150 O22 0.01320 0.01260 0.00730 0.00340 0.00230 -0.00120 O23 0.00630 0.01440 0.01860 0.00130 0.00170 0.00500 O24 0.00650 0.01400 0.01390 0.00090 0.00240 0.00400 O25 0.01070 0.00660 0.00720 -0.00310 0.00270 -0.00050 O26 0.00730 0.00490 0.00910 -0.00110 0.00250 -0.00140 O27 0.01060 0.01010 0.01040 -0.00130 0.00360 -0.00420 O28 0.01110 0.00620 0.01210 -0.00170 0.00500 -0.00190 O29 0.01590 0.00860 0.00750 -0.00060 0.00340 0.00190 O30 0.01780 0.01270 0.00810 -0.00680 0.00370 -0.00060 O31 0.00510 0.01600 0.01500 0.00000 0.00110 -0.00330 O32 0.00700 0.01360 0.01640 0.00190 -0.00140 -0.00090 O33 0.00920 0.01820 0.01310 -0.00270 -0.00160 0.00230 O34 0.01260 0.01260 0.00730 -0.00180 -0.00180 0.00060 O35 0.01820 0.02040 0.00900 0.00530 0.00380 -0.00030 O36 0.02140 0.01590 0.00810 -0.00640 0.00120 0.00240 O37 0.03500 0.01020 0.01620 -0.00180 -0.00540 0.00270 O38 0.02280 0.00630 0.01420 -0.00220 -0.00360 -0.00090 O39 0.01000 0.02090 0.01570 0.00560 0.00370 -0.00060 O40 0.00860 0.02500 0.01410 0.00080 0.00480 -0.00400 O41 0.01300 0.01630 0.01390 0.00750 -0.00370 -0.00290 O42 0.01370 0.01090 0.00960 0.00040 -0.00230 -0.00160 O43 0.05700 0.03600 0.01270 -0.03300 -0.01170 0.01300 O44 0.04000 0.02500 0.00870 0.01590 -0.00480 -0.00640 O45 0.02050 0.00450 0.01380 0.00210 0.00020 -0.00140 O46 0.02030 0.00890 0.00890 0.00090 -0.00240 -0.00010 O47 0.01240 0.01810 0.03400 -0.00450 -0.00220 0.01030 O48 0.01250 0.02080 0.02700 -0.00390 0.00140 0.01120 O49 0.01160 0.02500 0.02200 -0.00320 0.00800 -0.00860 O50 0.00830 0.01250 0.01340 -0.00010 0.00170 0.00020