data_global _chemical_name_mineral 'Jahnsite-(MnMnFe)' loop_ _publ_author_name 'Vignola P' 'Hatert F' 'Rotiroti N' 'Nestola F' 'Risplendente A' 'Vanini F' _journal_name_full 'The Canadian Mineralogist' _journal_volume 57 _journal_year 2019 _journal_page_first 225 _journal_page_last 233 _publ_section_title ; Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy ; _database_code_amcsd 0020874 _chemical_compound_source 'the Malpensata pegmatite, Olgiasca, Lecco province, Italy' _chemical_formula_sum '(Mn1.4 Ca.25 Na.05) Fe4 P4 O26 H18' _cell_length_a 15.1559 _cell_length_b 7.1478 _cell_length_c 10.0209 _cell_angle_alpha 90 _cell_angle_beta 112.059 _cell_angle_gamma 90 _cell_volume 1006.111 _exptl_crystal_density_diffrn 2.870 _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 0.96930 0.00000 0.40000 0.02270 CaX 0.25000 0.96930 0.00000 0.25000 0.02270 NaX 0.25000 0.96930 0.00000 0.05000 0.02270 MnM1 0.25000 0.47030 0.00000 1.00000 0.01880 Fe1M2 0.50000 0.00000 0.50000 1.00000 0.01940 Fe2M2 0.25000 0.50604 0.50000 1.00000 0.01540 Fe3M3 0.00000 0.00000 0.00000 1.00000 0.01280 Fe4M3 0.00000 0.50000 0.00000 1.00000 0.01110 P1 0.18420 0.25664 0.19095 1.00000 0.01470 P2 0.08558 0.75058 0.80245 1.00000 0.01560 O1 0.26910 0.21060 0.14880 1.00000 0.03900 O2 0.21800 0.30060 0.34860 1.00000 0.02950 O3 0.11570 0.09150 0.15520 1.00000 0.04100 O4 0.13920 0.42910 0.09410 1.00000 0.01820 O5 0.19070 0.69230 0.85410 1.00000 0.02570 O6 0.04950 0.79060 0.64270 1.00000 0.02750 O7 0.08560 0.92690 0.89150 1.00000 0.02600 O8 0.02470 0.59550 0.82910 1.00000 0.02360 O-H 0.02530 0.75060 0.09760 1.00000 0.01690 Wat1 0.22720 0.72700 0.34480 1.00000 0.03500 Wat2 0.45140 0.21530 0.33970 1.00000 0.03600 Wat3 0.63320 0.98880 0.47280 1.00000 0.03400 Wat4 0.39780 0.51290 0.52260 1.00000 0.02800 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 0.01550 0.01840 0.02840 0.00000 0.00170 0.00000 CaX 0.01550 0.01840 0.02840 0.00000 0.00170 0.00000 NaX 0.01550 0.01840 0.02840 0.00000 0.00170 0.00000 MnM1 0.02220 0.01760 0.02030 0.00000 0.01230 0.00000 Fe1M2 0.01500 0.01800 0.02250 0.00040 0.00390 -0.00750 Fe2M2 0.01470 0.01530 0.01850 0.00000 0.00870 0.00000 Fe3M3 0.00920 0.00880 0.02080 0.00020 0.00630 0.00120 Fe4M3 0.00720 0.00850 0.01940 0.00080 0.00720 0.00140 P1 0.01250 0.01480 0.01650 0.00120 0.00520 -0.00110 P2 0.01540 0.01520 0.01890 0.00370 0.00950 0.00430 O1 0.03100 0.06100 0.02800 0.02600 0.01600 0.01200 O2 0.04600 0.02700 0.01700 -0.00100 0.01300 -0.00400 O3 0.03400 0.01400 0.04800 -0.00600 -0.01400 0.00700 O4 0.01540 0.01550 0.02500 -0.00190 0.00870 0.00340 O5 0.01900 0.03300 0.02600 0.00800 0.01010 0.00360 O6 0.03000 0.02700 0.02100 0.00100 0.00400 0.00800 O7 0.03600 0.01340 0.04000 -0.00190 0.02700 -0.00270 O8 0.03700 0.01420 0.02700 -0.00180 0.02000 -0.00010 O-H 0.02000 0.00780 0.02240 0.00160 0.00750 0.00040 Wat1 0.04100 0.02800 0.03900 0.01300 0.01900 0.00600 Wat2 0.04300 0.02300 0.02900 -0.00400 -0.00100 -0.00300 Wat3 0.02000 0.03700 0.05200 -0.00420 0.02000 -0.01000 Wat4 0.01000 0.03300 0.04300 -0.00280 0.01100 0.00600