data_global _chemical_name_mineral 'Fanfaniite' loop_ _publ_author_name 'Grey I E' 'Kampf A R' 'Smith J B' 'MacRae C M' 'Keck E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 31 _journal_year 2019 _journal_page_first 647 _journal_page_last 652 _publ_section_title ; Fanfaniite, Ca4Mn2+Al4(PO4)6(OH,F)4*12H2O, a new mineral with a montgomeryite-type structure ; _database_code_amcsd 0020880 _chemical_compound_source 'Foote spodumene mine, North Carolina, USA' _chemical_formula_sum 'Ca2 Al1.96 Fe.1 Mn.38 Mg.06 P3 O20 H10' _cell_length_a 10.021 _cell_length_b 24.137 _cell_length_c 6.226 _cell_angle_alpha 90 _cell_angle_beta 91.54 _cell_angle_gamma 90 _cell_volume 1505.381 _exptl_crystal_density_diffrn 2.577 _symmetry_space_group_name_H-M 'C 1 2/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' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Ca1 0.00000 0.06077 0.25000 1.00000 0.01730 Ca2 0.00000 0.33045 0.25000 1.00000 0.01490 Al1 0.25000 0.25000 0.00000 1.00000 0.01260 Al2 0.00000 0.17112 0.75000 0.96000 0.01330 Fe2 0.00000 0.17112 0.75000 0.04000 0.01330 Mn 0.00000 0.47293 0.25000 0.38000 0.02060 Mg 0.00000 0.47293 0.25000 0.06000 0.02060 Fe 0.00000 0.47293 0.25000 0.06000 0.02060 P1 0.50000 0.30003 0.75000 1.00000 0.01310 P2 0.25905 0.11577 0.96033 1.00000 0.01508 O1 0.61727 0.26095 0.70730 1.00000 0.01640 O2 0.47034 0.33741 0.55570 1.00000 0.01660 O3 0.31035 0.17504 0.01110 1.00000 0.01680 O4 0.37609 0.08755 0.85170 1.00000 0.01830 O5 0.13740 0.11758 0.79980 1.00000 0.01880 O6 0.21942 0.08679 0.16600 1.00000 0.02540 O-h1 0.37037 0.27164 0.22030 1.00000 0.01530 Ow1 0.16450 0.32854 0.52520 1.00000 0.02530 Ow2 0.11258 0.02580 0.58170 1.00000 0.01910 Ow3 0.12260 0.47368 0.56830 1.00000 0.05240 H12 0.23700 0.31900 0.45400 1.00000 0.07000 H22 0.19000 0.01600 0.54400 1.00000 0.07000 H11 0.18700 0.35100 0.62500 1.00000 0.07000 H21 0.11900 0.05350 0.67400 1.00000 0.07000 H1 0.34700 0.26200 0.34000 1.00000 0.07000 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 Ca1 0.02110 0.01360 0.01740 0.00000 0.00370 0.00000 Ca2 0.01650 0.01190 0.01640 0.00000 0.00340 0.00000 Al1 0.01580 0.00770 0.01430 -0.00040 0.00280 0.00000 Al2 0.01640 0.00740 0.01640 0.00000 0.00370 0.00000 Fe2 0.01640 0.00740 0.01640 0.00000 0.00370 0.00000 Mn 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000 Mg 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000 Fe 0.02130 0.01510 0.02550 0.00000 0.00380 0.00000 P1 0.01560 0.00890 0.01510 0.00000 0.00300 0.00000 P2 0.01710 0.00960 0.01880 0.00025 0.00500 0.00165 O1 0.01760 0.01240 0.01950 0.00210 0.00420 0.00180 O2 0.02270 0.00940 0.01770 0.00160 0.00240 0.00100 O3 0.01900 0.01080 0.02040 -0.00020 -0.00020 -0.00140 O4 0.02060 0.01290 0.02160 0.00360 0.00450 0.00090 O5 0.01980 0.01050 0.02610 -0.00090 -0.00020 -0.00170 O6 0.02530 0.02260 0.02900 0.00370 0.01160 0.01390 O-h1 0.01800 0.01140 0.01650 -0.00180 0.00290 0.00070 Ow1 0.02240 0.02980 0.02340 -0.00600 -0.00140 0.00630 Ow2 0.02380 0.01220 0.02150 -0.00010 0.00160 -0.00160 Ow3 0.02690 0.06240 0.06800 0.00720 -0.00480 -0.03950