data_global _chemical_name_mineral 'Maneckiite' loop_ _publ_author_name 'Pieczka A' 'Hawthorne F C' 'Golebiowska B' 'Wlodek A' 'Grochowina A' _journal_name_full 'Mineralogical Magazine' _journal_volume 81 _journal_year 2017 _journal_page_first 723 _journal_page_last 736 _publ_section_title ; Maneckiite, ideally NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2, a new phosphate mineral of the wicksite supergroup from the Michalkowa pegmatite, Gory Sowie Block, southwestern Poland ; _database_code_amcsd 0020868 _chemical_compound_source 'Michalkowa pegmatite, Gory Sowie Block, Poland' _chemical_formula_sum 'Na.9 Ca2 Fe2.52 Mg1.56 Mn1.92 P6 O26 H4' _cell_length_a 12.526 _cell_length_b 12.914 _cell_length_c 11.664 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1886.777 _exptl_crystal_density_diffrn 3.488 _symmetry_space_group_name_H-M 'P c a b' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2-z' '-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+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 Na 0.00000 0.00000 0.00000 0.90000 0.03570 Ca 0.26359 0.37467 0.49465 1.00000 0.01086 Fe2+M1 0.15370 0.20718 0.22753 0.65000 0.01022 MgM1 0.15370 0.20718 0.22753 0.35000 0.01022 Fe3+M2 0.33315 0.04319 0.22589 0.61000 0.00791 MgM2 0.33315 0.04319 0.22589 0.39000 0.00791 Mn2+M3 0.03220 0.26437 0.45456 0.46000 0.01030 MgM3 0.03220 0.26437 0.45456 0.02000 0.01030 Mn2+M31 0.01560 0.27450 0.45738 0.44000 0.00820 MgM31 0.01560 0.27450 0.45738 0.02000 0.00820 Mn2+M32 -0.00530 0.30590 0.45960 0.06000 0.01350 P1 0.39091 0.30157 0.22559 1.00000 0.00723 P2 0.10079 0.44369 0.25421 1.00000 0.00730 P3 0.26728 0.12477 0.47608 1.00000 0.00807 O1 0.49847 0.27490 0.28223 1.00000 0.01170 O2 0.40840 0.33886 0.10180 1.00000 0.01200 O3 0.32116 0.20318 0.22145 1.00000 0.01210 O4 0.33555 0.38507 0.29858 1.00000 0.01030 O5 0.16610 0.54494 0.25545 1.00000 0.01130 O6 0.15482 0.36292 0.17790 1.00000 0.01090 O7 0.09318 0.40455 0.37896 1.00000 0.01180 O8 -0.00984 0.46649 0.20187 1.00000 0.01340 O9 0.19234 0.20396 0.41698 1.00000 0.01170 O10 0.35217 0.19020 0.54085 1.00000 0.01410 O11 0.20087 0.05233 0.55362 1.00000 0.01210 O12 0.33007 0.05206 0.39610 1.00000 0.01470 O13 -0.02769 0.11643 0.48697 1.00000 0.01510 H1 -0.00040 0.08900 0.55960 1.00000 0.02000 H2 -0.00700 0.07590 0.41950 1.00000 0.02000 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 0.02520 0.03740 0.04260 0.00550 -0.00930 0.02590 Ca 0.01134 0.01103 0.01020 -0.00163 -0.00095 0.00155 Fe2+M1 0.00949 0.00926 0.01191 0.00048 0.00090 0.00129 MgM1 0.00949 0.00926 0.01191 0.00048 0.00090 0.00129 Fe3+M2 0.00787 0.00787 0.00799 0.00023 -0.00002 -0.00036 MgM2 0.00787 0.00787 0.00799 0.00023 -0.00002 -0.00036 P1 0.00737 0.00716 0.00715 0.00009 -0.00012 -0.00057 P2 0.00697 0.00721 0.00772 -0.00018 -0.00024 0.00006 P3 0.00988 0.00702 0.00731 -0.00004 -0.00025 -0.00023 O1 0.00890 0.01440 0.01180 0.00210 -0.00220 -0.00090 O2 0.01450 0.01340 0.00810 0.00110 0.00100 0.00110 O3 0.01060 0.00900 0.01660 -0.00190 0.00010 -0.00080 O4 0.00950 0.01070 0.01070 0.00090 0.00050 -0.00250 O5 0.01220 0.00900 0.01280 -0.00220 -0.00030 0.00020 O6 0.01100 0.00980 0.01190 0.00090 0.00060 -0.00200 O7 0.01460 0.01230 0.00860 -0.00190 -0.00040 0.00140 O8 0.00940 0.01560 0.01520 0.00280 -0.00230 0.00020 O9 0.01310 0.01020 0.01190 0.00280 0.00020 0.00130 O10 0.01510 0.01490 0.01210 -0.00530 -0.00160 -0.00200 O11 0.01610 0.00980 0.01060 -0.00270 -0.00100 0.00180 O12 0.01760 0.01540 0.01120 0.00790 -0.00160 -0.00290 O13 0.01670 0.01650 0.01220 0.00160 0.00010 0.00270