data_global _chemical_name_mineral 'Jahnsite-(MnMnMg)' loop_ _publ_author_name 'Vignola P' 'Hatert F' 'Baijot M' 'Rotiroti N' 'Risplendente A' 'Varvello S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 57 _journal_year 2019 _journal_page_first 363 _journal_page_last 370 _publ_section_title ; Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil ; _database_code_amcsd 0020873 _chemical_compound_source 'Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil' _chemical_formula_sum 'Mn2.02 Ca.25 Na.2 Mg1.26 Fe1.85 Al.36 P4 O26 H22' _cell_length_a 15.177 _cell_length_b 7.176 _cell_length_c 10.006 _cell_angle_alpha 90 _cell_angle_beta 111.01 _cell_angle_gamma 90 _cell_volume 1017.306 _exptl_crystal_density_diffrn 2.714 _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 MnX 0.25000 0.96792 0.00000 0.50000 0.02510 CaX 0.25000 0.96792 0.00000 0.25000 0.02510 NaX 0.25000 0.96792 0.00000 0.20000 0.02510 MnM1 0.25000 0.47096 0.00000 1.00000 0.02040 Mg1M2 0.00000 0.00000 0.50000 0.63000 0.02100 Mn1M2 0.00000 0.00000 0.50000 0.26000 0.02100 Fe1M2 0.00000 0.00000 0.50000 0.10000 0.02100 Mg2M2 0.25000 0.50252 0.50000 0.63000 0.01950 Mn2M2 0.25000 0.50252 0.50000 0.26000 0.01950 Fe2M2 0.25000 0.50252 0.50000 0.11000 0.01950 Fe1M3 0.00000 0.00000 0.00000 0.82000 0.01610 Al1M3 0.00000 0.00000 0.00000 0.18000 0.01610 Fe2M3 0.00000 0.50000 0.00000 0.82000 0.01580 Al2M3 0.00000 0.50000 0.00000 0.18000 0.01580 P1 0.18375 0.25857 0.18949 1.00000 0.01790 P2 0.08308 0.74765 0.80000 1.00000 0.01870 O1a 0.27184 0.22090 0.14980 1.00000 0.04060 O2a 0.21084 0.29910 0.34700 1.00000 0.03260 O3a 0.11932 0.08940 0.14810 1.00000 0.04200 O4a 0.13872 0.43050 0.09140 1.00000 0.02200 O5a 0.18926 0.69060 0.85550 1.00000 0.02870 O6a 0.05200 0.78410 0.64030 1.00000 0.02680 O7a 0.08063 0.92700 0.88550 1.00000 0.03040 O8a 0.02288 0.59220 0.82820 1.00000 0.02610 O-h 0.02584 0.75040 0.09610 1.00000 0.02310 Ow1 0.22580 0.72400 0.34300 1.00000 0.03690 Ow2 0.44890 0.21520 0.34270 1.00000 0.04210 Ow3 0.63160 0.99090 0.46720 1.00000 0.04030 Ow4 0.39350 0.51360 0.51700 1.00000 0.03630 H 0.00900 0.74900 0.17700 1.00000 0.16600 H1a 0.25300 0.82500 0.39800 1.00000 0.16600 H1b 0.15900 0.71900 0.29100 1.00000 0.16600 H2a 0.42500 0.30000 0.39500 1.00000 0.16600 H2b 0.39600 0.25700 0.25100 1.00000 0.16600 H3a 0.61400 -0.00400 0.36500 1.00000 0.16600 H3b 0.58200 0.02200 0.60700 1.00000 0.16600 H4a 0.41800 0.61800 0.48700 1.00000 0.16600 H4b 0.42700 0.45000 0.59900 1.00000 0.16600 Hx 0.66600 0.89300 0.44200 1.00000 0.16600 Hy 0.24500 0.70600 0.26300 1.00000 0.16600 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 MnX 0.02670 0.01590 0.02570 0.00000 0.00070 0.00000 CaX 0.02670 0.01590 0.02570 0.00000 0.00070 0.00000 NaX 0.02670 0.01590 0.02570 0.00000 0.00070 0.00000 MnM1 0.02380 0.01830 0.02060 0.00000 0.00990 0.00000 Mg1M2 0.02470 0.01870 0.01760 0.00100 0.00520 0.00520 Mn1M2 0.02470 0.01870 0.01760 0.00100 0.00520 0.00520 Fe1M2 0.02470 0.01870 0.01760 0.00100 0.00520 0.00520 Mg2M2 0.02360 0.01890 0.02030 0.00000 0.01030 0.00000 Mn2M2 0.02360 0.01890 0.02030 0.00000 0.01030 0.00000 Fe2M2 0.02360 0.01890 0.02030 0.00000 0.01030 0.00000 Fe1M3 0.01900 0.01080 0.01890 -0.00010 0.00720 0.00030 Al1M3 0.01900 0.01080 0.01890 -0.00010 0.00720 0.00030 Fe2M3 0.01930 0.01110 0.01850 0.00050 0.00880 0.00050 Al2M3 0.01930 0.01110 0.01850 0.00050 0.00880 0.00050 P1 0.01980 0.01650 0.01710 0.00130 0.00610 -0.00100 P2 0.02120 0.01810 0.01770 0.00250 0.00820 0.00280 O1a 0.03300 0.06590 0.02590 0.02540 0.01430 0.01110 O2a 0.04760 0.03190 0.01770 0.00170 0.01110 -0.00420 O3a 0.04310 0.01730 0.04300 -0.00440 -0.01290 0.00480 O4a 0.02240 0.02090 0.02230 0.00060 0.00740 0.00170 O5a 0.02670 0.03560 0.02330 0.00640 0.00830 0.00150 O6a 0.03370 0.02820 0.01610 0.00370 0.00590 0.00470 O7a 0.04490 0.01760 0.03600 -0.00250 0.02400 -0.00360 O8a 0.03650 0.01920 0.02830 -0.00300 0.01870 0.00100 O-h 0.02930 0.01530 0.02540 -0.00080 0.01060 -0.00410 Ow1 0.05040 0.03350 0.03100 0.00860 0.01890 0.00230 Ow2 0.05620 0.02530 0.02900 -0.00380 -0.00410 0.00040 Ow3 0.04140 0.03460 0.05000 -0.00440 0.02210 -0.00970 Ow4 0.03050 0.03380 0.04500 -0.00210 0.01410 0.00210