data_global _chemical_name_mineral 'Falsterite' loop_ _publ_author_name 'Kampf A R' 'Mills S J' 'Simmons W B' 'Nizamoff J W' 'Whitmore R W' _journal_name_full 'American Mineralogist' _journal_volume 97 _journal_year 2012 _journal_page_first 496 _journal_page_last 502 _publ_section_title ; Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire ; _database_code_amcsd 0018881 _chemical_compound_source 'Palermo No. 1 pegmatite, North Groton, New Hampshire' _chemical_formula_sum 'Ca Mg.464 Zn2.036 Mn Fe2 P4 O25 H16' _cell_length_a 6.3868 _cell_length_b 21.260 _cell_length_c 15.365 _cell_angle_alpha 90 _cell_angle_beta 90.564 _cell_angle_gamma 90 _cell_volume 2086.210 _exptl_crystal_density_diffrn 2.837 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 Ca 0.53680 0.37340 0.64010 1.00000 0.05100 Mg 0.29300 0.04280 0.51810 0.46400 0.04100 Zn 0.29300 0.04280 0.51810 0.03600 0.04100 Mn 0.04510 0.34860 0.39100 1.00000 0.05330 Fe1 0.29330 0.24592 0.26530 1.00000 0.04540 Fe2 0.78990 0.24560 0.26500 1.00000 0.04730 Zn1 0.29310 0.18160 0.52180 1.00000 0.05610 Zn2 0.79490 0.18224 0.52270 1.00000 0.04980 P1 0.04100 0.29790 0.59270 1.00000 0.05200 P2 0.54520 0.29140 0.43940 1.00000 0.04700 P3 0.03520 0.13050 0.36590 1.00000 0.04900 P4 0.54900 0.13270 0.67490 1.00000 0.05200 O1 0.03500 0.35140 0.52820 1.00000 0.04800 O2 0.23800 0.19930 0.14960 1.00000 0.04600 O3 0.83900 0.20450 0.14850 1.00000 0.04500 O4 0.04300 0.23230 0.54310 1.00000 0.03700 O5 0.55500 0.35100 0.49120 1.00000 0.04900 O6 0.74200 0.28570 0.38390 1.00000 0.03900 O7 0.54300 0.23180 0.49640 1.00000 0.05000 O8 0.33800 0.28700 0.38100 1.00000 0.05200 O9 0.83700 0.13230 0.42090 1.00000 0.05600 O10 0.03200 0.07530 0.30230 1.00000 0.07100 O11 0.04500 0.19440 0.31970 1.00000 0.05200 O12 0.23200 0.12460 0.42850 1.00000 0.06600 O13 0.37300 0.12650 0.61140 1.00000 0.07300 O14 0.54400 0.08260 0.74550 1.00000 0.05200 O15 0.54100 0.20050 0.71420 1.00000 0.06700 O16 0.76200 0.12940 0.62120 1.00000 0.06400 O-H17 0.53900 0.18460 0.27770 1.00000 0.04300 O-H18 0.03800 0.30760 0.25850 1.00000 0.05000 Wat19 0.24700 0.42910 0.36070 1.00000 0.06100 Wat20 0.78600 0.42370 0.39020 1.00000 0.05800 Wat21 0.42500 0.45160 0.74570 1.00000 0.07800 Wat22 0.34700 0.45460 0.55930 1.00000 0.07300 Wat23 0.85400 0.44050 0.64650 1.00000 0.06300 Wat24 0.42600 0.96600 0.56840 1.00000 0.09000 Wat25 0.04800 0.03630 0.59600 0.50000 0.05200 Wat26 0.14600 0.98720 0.42300 0.50000 0.05400 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 Ca 0.05100 0.05600 0.04600 -0.00400 0.00100 0.00000 Mg 0.02300 0.05400 0.04700 0.01000 0.01800 0.01400 Zn 0.02300 0.05400 0.04700 0.01000 0.01800 0.01400 Mn 0.04500 0.06600 0.04900 0.00000 0.00800 -0.00400 Fe1 0.04300 0.05100 0.04200 0.00400 0.00400 -0.00400 Fe2 0.04700 0.05000 0.04500 0.00000 0.00200 0.00100 Zn1 0.04500 0.08200 0.04200 0.00500 0.00200 -0.00200 Zn2 0.04800 0.05300 0.04800 0.00300 0.00100 -0.00300 P1 0.03600 0.06300 0.05900 0.00100 0.00100 -0.00400 P2 0.04500 0.04900 0.04800 0.00200 0.02000 0.00300 P3 0.05500 0.05200 0.04100 -0.00500 0.01700 0.00300 P4 0.06300 0.05000 0.04400 0.00000 -0.01400 0.00800 O1 0.05500 0.02900 0.05800 0.01200 0.01100 0.03000 O2 0.02700 0.05800 0.05200 -0.01200 0.00000 0.02200 O3 0.03300 0.05300 0.04800 -0.01700 0.00500 0.00200 O4 0.03400 0.04700 0.03000 -0.00900 0.01300 -0.00600 O5 0.01800 0.07300 0.05700 -0.00200 -0.00400 0.00300 O6 0.02000 0.07500 0.02300 0.00000 -0.00400 0.01600 O7 0.03000 0.05000 0.06900 0.00600 -0.01700 -0.01100 O8 0.01500 0.05800 0.08100 0.00500 -0.00500 -0.00600 O9 0.08000 0.05800 0.02800 -0.01800 -0.00800 0.00800 O10 0.10000 0.04700 0.06100 -0.00500 -0.03400 -0.00800 O11 0.04200 0.05000 0.06300 0.00000 0.01200 0.03200 O12 0.07300 0.07100 0.05400 0.00800 -0.01500 -0.00900 O13 0.04100 0.07500 0.10000 -0.00400 -0.03000 -0.00300 O14 0.04300 0.05400 0.06000 0.01800 0.01300 -0.01300 O15 0.09000 0.06300 0.04500 0.01500 0.02200 -0.00300 O16 0.09000 0.06400 0.04300 0.02900 0.01700 0.01700 O-H17 0.04500 0.02700 0.05600 0.00300 -0.01300 -0.00100 O-H18 0.07300 0.04700 0.02900 0.01500 0.00000 -0.00500 Wat19 0.10300 0.03300 0.04800 -0.00500 0.02800 0.01500 Wat20 0.04000 0.07700 0.05500 -0.00800 -0.00700 -0.01100 Wat21 0.09100 0.05100 0.09300 -0.00600 0.02700 0.00600 Wat22 0.08500 0.05200 0.08300 0.00900 -0.00700 0.01200 Wat23 0.05400 0.06000 0.07700 -0.00600 0.02900 0.00000 Wat24 0.07000 0.06300 0.14000 0.00400 0.03100 -0.01600 Wat25 0.03000 0.04000 0.08000 0.00000 -0.03000 0.01000 Wat26 0.09000 0.06000 0.01000 0.03000 0.01000 -0.02000