data_global _chemical_name_mineral 'Sn-Rich Astrophyllite' loop_ _publ_author_name 'Camara F' 'Sokolova E' 'Abdu Y' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1 _journal_page_last 16 _publ_section_title ; The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich astrophyllite: Revisions to the crystal chemistry of the astrophyllite-group minerals ; _database_code_amcsd 0006311 _chemical_compound_source 'Zomba-Malosa pegmatite, Monte Malosa, Zomba, Malawi' _chemical_formula_sum 'K1.7 Ca.16 Pb.02 Cs.02 Na.96 Fe6.46 Mn.44 Zn.02 (Ti.74 Sn.62 Nb.44 Zr.16 Ta.02 Mg.02) (Si7.84 Al.16) O30.35 (F.65 H.35)' _cell_length_a 5.3866 _cell_length_b 11.8821 _cell_length_c 11.6794 _cell_angle_alpha 113.019 _cell_angle_beta 94.578 _cell_angle_gamma 103.120 _cell_volume 658.092 _exptl_crystal_density_diffrn 3.481 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz '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 KA1 0.13420 0.26893 0.99484 0.78000 0.05150 KA2 0.11300 0.22040 0.99590 0.03000 0.05150 CaA2 0.11300 0.22040 0.99590 0.02000 0.05150 PbA2 0.11300 0.22040 0.99590 0.01000 0.05150 KA3 0.15400 0.30740 -0.00100 0.04000 0.05150 CsA3 0.15400 0.30740 -0.00100 0.01000 0.05150 NaB 0.50000 0.00000 0.00000 0.96000 0.01830 CaB 0.50000 0.00000 0.00000 0.04000 0.01830 FeM1 0.85153 0.20561 0.48017 0.89000 0.01028 MnM1 0.85153 0.20561 0.48017 0.08000 0.01028 CaM1 0.85153 0.20561 0.48017 0.03000 0.01028 FeM2 0.27930 0.06826 0.48837 0.89000 0.01055 MnM2 0.27930 0.06826 0.48837 0.10000 0.01055 CaM2 0.27930 0.06826 0.48837 0.01000 0.01055 Fe2+M3 0.42088 0.35112 0.48492 0.88000 0.01056 Fe3+M3 0.42088 0.35112 0.48492 0.08000 0.01056 MnM3 0.42088 0.35112 0.48492 0.04000 0.01056 Fe2+M4 0.00000 0.50000 0.50000 0.88000 0.00970 Fe3+M4 0.00000 0.50000 0.50000 0.10000 0.00970 ZnM4 0.00000 0.50000 0.50000 0.02000 0.00970 TiD 0.07685 0.08531 0.19385 0.37000 0.01122 SnD 0.07685 0.08531 0.19385 0.31000 0.01122 NbD 0.07685 0.08531 0.19385 0.22000 0.01122 ZrD 0.07685 0.08531 0.19385 0.08000 0.01122 TaD 0.07685 0.08531 0.19385 0.01000 0.01122 MgD 0.07685 0.08531 0.19385 0.01000 0.01122 SiT1 0.67803 0.27365 0.23323 0.98000 0.01092 AlT1 0.67803 0.27365 0.23323 0.02000 0.01092 SiT2 0.81369 0.54764 0.25524 0.98000 0.01047 AlT2 0.81369 0.54764 0.25524 0.02000 0.01047 SiT3 0.37723 0.67597 0.25782 0.98000 0.00990 AlT3 0.37723 0.67597 0.25782 0.02000 0.00990 SiT4 0.50748 0.93258 0.23834 0.98000 0.01083 AlT4 0.50748 0.93258 0.23834 0.02000 0.01083 O1 0.72710 0.31820 0.38580 1.00000 0.01120 O2 0.14680 0.16370 0.37710 1.00000 0.01300 O3 0.12590 0.39060 0.59210 1.00000 0.01100 O-h4 0.30150 0.46350 0.40200 1.00000 0.01320 O-h5 0.98860 0.11570 0.59120 1.00000 0.01380 O6 0.56280 0.25640 0.58810 1.00000 0.01120 O7 0.57500 0.01630 0.39090 1.00000 0.01100 O8 0.07360 0.59110 0.20180 1.00000 0.02190 O9 0.24830 0.04230 0.82560 1.00000 0.05830 O10 0.42700 0.41180 0.79690 1.00000 0.02230 O11 0.12860 0.80490 0.83060 1.00000 0.05700 O12 0.26700 0.95730 0.17370 1.00000 0.05710 O13 0.26970 0.60560 0.80410 1.00000 0.03110 O14 0.57450 0.21950 0.79980 1.00000 0.03270 O15 0.38570 0.19410 0.16920 1.00000 0.05640 O-HX 0.00000 0.00000 0.00000 0.35000 0.01950 FX 0.00000 0.00000 0.00000 0.65000 0.01950 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 KA1 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 KA2 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 CaA2 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 PbA2 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 KA3 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 CsA3 0.09710 0.02680 0.02250 0.00650 0.00300 0.00970 NaB 0.02680 0.01630 0.00860 0.00420 0.00140 0.00330 CaB 0.02680 0.01630 0.00860 0.00420 0.00140 0.00330 FeM1 0.00850 0.00940 0.01370 0.00237 0.00274 0.00565 MnM1 0.00850 0.00940 0.01370 0.00237 0.00274 0.00565 CaM1 0.00850 0.00940 0.01370 0.00237 0.00274 0.00565 FeM2 0.00860 0.01000 0.01450 0.00287 0.00336 0.00627 MnM2 0.00860 0.01000 0.01450 0.00287 0.00336 0.00627 CaM2 0.00860 0.01000 0.01450 0.00287 0.00336 0.00627 Fe2+M3 0.00880 0.01020 0.01490 0.00338 0.00371 0.00684 Fe3+M3 0.00880 0.01020 0.01490 0.00338 0.00371 0.00684 MnM3 0.00880 0.01020 0.01490 0.00338 0.00371 0.00684 Fe2+M4 0.00780 0.00850 0.01310 0.00200 0.00180 0.00500 Fe3+M4 0.00780 0.00850 0.01310 0.00200 0.00180 0.00500 ZnM4 0.00780 0.00850 0.01310 0.00200 0.00180 0.00500 TiD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 SnD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 NbD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 ZrD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 TaD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 MgD 0.00726 0.01041 0.01796 0.00281 0.00314 0.00766 SiT1 0.01200 0.00900 0.01110 0.00210 0.00170 0.00470 AlT1 0.01200 0.00900 0.01110 0.00210 0.00170 0.00470 SiT2 0.01060 0.00920 0.01150 0.00210 0.00150 0.00470 AlT2 0.01060 0.00920 0.01150 0.00210 0.00150 0.00470 SiT3 0.00990 0.00900 0.01170 0.00230 0.00190 0.00550 AlT3 0.00990 0.00900 0.01170 0.00230 0.00190 0.00550 SiT4 0.01230 0.00920 0.01100 0.00230 0.00190 0.00460 AlT4 0.01230 0.00920 0.01100 0.00230 0.00190 0.00460 O1 0.01100 0.01180 0.00100 0.00240 0.00160 0.00420 O2 0.01110 0.01170 0.01670 0.00320 0.00290 0.00650 O3 0.01120 0.01060 0.01090 0.00250 0.00200 0.00450 O-h4 0.01310 0.01270 0.01420 0.00350 0.00310 0.00600 O-h5 0.01340 0.01310 0.01440 0.00320 0.00230 0.00560 O6 0.01200 0.01090 0.01000 0.00250 0.00170 0.00400 O7 0.01190 0.01170 0.00920 0.00360 0.00240 0.00390 O8 0.01380 0.02940 0.01700 -0.00080 0.00380 0.00780 O9 0.04410 0.05900 0.02010 -0.03730 0.01830 -0.00980 O10 0.02180 0.02940 0.01810 0.01540 0.00230 0.00830 O11 0.10500 0.08600 0.02020 0.08700 0.02830 0.02670 O12 0.08500 0.05700 0.02090 0.06000 -0.02050 -0.00850 O13 0.06400 0.00930 0.01450 0.00210 0.00220 0.00530 O14 0.06800 0.00990 0.01560 0.00240 0.00260 0.00670 O15 0.03470 0.08400 0.01880 -0.04130 -0.01140 0.02480 O-HX 0.01990 0.02100 0.01640 0.00530 0.00300 0.00710 FX 0.01990 0.02100 0.01640 0.00530 0.00300 0.00710