data_global _chemical_name_mineral 'Siderophyllite' loop_ _publ_author_name 'Brigatti M F' 'Kile D E' 'Poppi L' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 349 _journal_page_last 355 _publ_section_title ; Crystal structure and chemistry of lithium-bearing trioctahedral micas-3T Sample: 103 ; _database_code_amcsd 0006977 _chemical_formula_sum 'Si3.22 Al1.68 Ti.03 Fe1.26 Mg.02 Mn.05 Li.62 K.98 Na.04 O10.71 F1.29 H.15' _cell_length_a 5.316 _cell_length_b 5.316 _cell_length_c 29.846 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 730.444 _exptl_crystal_density_diffrn 3.071 _symmetry_space_group_name_H-M 'P 31 1 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,y,1/3-z' '-y,x-y,1/3+z' '-y,-x,2/3-z' '-x+y,-x,2/3+z' 'x,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 SiT1 0.21670 0.78470 0.90845 0.80500 0.00849 AlT1 0.21670 0.78470 0.90845 0.19500 0.00849 SiT2 0.54460 0.44860 0.90954 0.80500 0.00811 AlT2 0.54460 0.44860 0.90954 0.19500 0.00811 TiM1 0.88800 0.44400 0.00000 0.01000 0.01343 AlM1 0.88800 0.44400 0.00000 0.30000 0.01343 FeM1 0.88800 0.44400 0.00000 0.42000 0.01343 MgM1 0.88800 0.44400 0.00000 0.00670 0.01343 MnM1 0.88800 0.44400 0.00000 0.01670 0.01343 LiM1 0.88800 0.44400 0.00000 0.20670 0.01343 TiM2 0.22690 0.11340 0.00000 0.01000 0.01267 AlM2 0.22690 0.11340 0.00000 0.30000 0.01267 FeM2 0.22690 0.11340 0.00000 0.42000 0.01267 MgM2 0.22690 0.11340 0.00000 0.00670 0.01267 MnM2 0.22690 0.11340 0.00000 0.01670 0.01267 LiM2 0.22690 0.11340 0.00000 0.20670 0.01267 TiM3 0.55220 0.77610 0.00000 0.01000 0.00887 AlM3 0.55220 0.77610 0.00000 0.30000 0.00887 FeM3 0.55220 0.77610 0.00000 0.42000 0.00887 MgM3 0.55220 0.77610 0.00000 0.00670 0.00887 MnM3 0.55220 0.77610 0.00000 0.01670 0.00887 LiM3 0.55220 0.77610 0.00000 0.20670 0.00887 K 0.88250 0.11750 0.83333 0.98000 0.03040 Na 0.88250 0.11750 0.83333 0.04000 0.03040 O1 0.22700 0.79200 0.96370 1.00000 0.01646 O2 0.53780 0.43840 0.96460 1.00000 0.02153 O3 0.36380 0.10900 0.88778 1.00000 0.02153 O4 0.89200 0.60360 0.89028 1.00000 0.01900 O5 0.39460 0.63790 0.88980 1.00000 0.01646 O6 0.92200 0.11000 0.96585 0.28000 0.03040 O-H 0.92200 0.11000 0.96585 0.07500 0.03040 F 0.92200 0.11000 0.96585 0.64500 0.03040 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 SiT1 0.00773 0.00760 0.01077 0.00456 0.00038 0.00000 AlT1 0.00773 0.00760 0.01077 0.00456 0.00038 0.00000 SiT2 0.00925 0.01115 0.00646 0.00709 0.00139 -0.00317 AlT2 0.00925 0.01115 0.00646 0.00709 0.00139 -0.00317 TiM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 AlM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 FeM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 MgM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 MnM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 LiM1 0.01609 0.01609 0.01279 0.01140 0.00000 0.00000 TiM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 AlM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 FeM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 MgM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 MnM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 LiM2 0.01647 0.01647 0.01153 0.01266 0.00000 0.00000 TiM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 AlM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 FeM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 MgM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 MnM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 LiM3 0.01393 0.01393 0.00899 0.01393 -0.00760 -0.00760 K 0.03052 0.03052 0.03179 0.01659 -0.00025 -0.00025 Na 0.03052 0.03052 0.03179 0.01659 -0.00025 -0.00025 O1 0.01140 0.02153 0.00380 -0.00253 0.00507 -0.00253 O2 0.01773 0.03040 0.01647 0.01266 0.00127 -0.00253 O3 0.03293 0.01140 0.01520 0.00760 -0.00127 -0.00507 O4 0.01140 0.02406 0.01520 0.00380 0.00253 -0.00127 O5 0.02153 0.01900 0.01393 0.01393 -0.00127 0.00253 O6 0.05699 0.03040 0.02153 0.03546 -0.00633 -0.01140 O-H 0.05699 0.03040 0.02153 0.03546 -0.00633 -0.01140 F 0.05699 0.03040 0.02153 0.03546 -0.00633 -0.01140