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: 6-c ; _database_code_amcsd 0006975 _chemical_formula_sum 'Al1.98 Si3.11 Fe.98 Mg.03 Mn.11 Li.68 K.91 Na.03 O10.64 F1.36 H.3' _cell_length_a 5.309 _cell_length_b 5.309 _cell_length_c 29.846 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 728.521 _exptl_crystal_density_diffrn 3.006 _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 AlT1 0.22030 0.79260 0.91029 0.22250 0.01013 SiT1 0.22030 0.79260 0.91029 0.77750 0.01013 AlT2 0.54570 0.44790 0.90865 0.22250 0.00595 SiT2 0.54570 0.44790 0.90865 0.77750 0.00595 AlM1 0.89500 0.44770 0.00000 0.27250 0.01064 FeM1 0.89500 0.44770 0.00000 0.24500 0.01064 MgM1 0.89500 0.44770 0.00000 0.00750 0.01064 MnM1 0.89500 0.44770 0.00000 0.02750 0.01064 LiM1 0.89500 0.44770 0.00000 0.17000 0.01064 AlM2 0.23640 0.11820 0.00000 0.27250 0.00887 FeM2 0.23640 0.11820 0.00000 0.24500 0.00887 MgM2 0.23640 0.11820 0.00000 0.00750 0.00887 MnM2 0.23640 0.11820 0.00000 0.02750 0.00887 LiM2 0.23640 0.11820 0.00000 0.17000 0.00887 AlM3 0.56060 0.78030 0.00000 0.27250 0.01013 FeM3 0.56060 0.78030 0.00000 0.24500 0.01013 MgM3 0.56060 0.78030 0.00000 0.00750 0.01013 MnM3 0.56060 0.78030 0.00000 0.02750 0.01013 LiM3 0.56060 0.78030 0.00000 0.17000 0.01013 K 0.88160 0.11840 0.83333 0.91000 0.02799 Na 0.88160 0.11840 0.83333 0.03000 0.02799 O1 0.22700 0.80800 0.96380 1.00000 0.01013 O2 0.52900 0.42070 0.96500 1.00000 0.01393 O3 0.36110 0.11500 0.88682 1.00000 0.02026 O4 0.88500 0.59520 0.89099 1.00000 0.02406 O5 0.40700 0.64390 0.88990 1.00000 0.01900 O6 0.94240 0.12100 0.96610 0.17000 0.01646 O-H 0.94240 0.12100 0.96610 0.15000 0.01646 F 0.94240 0.12100 0.96610 0.68000 0.01646 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 AlT1 0.00646 0.00963 0.01355 0.00355 -0.00215 -0.00279 SiT1 0.00646 0.00963 0.01355 0.00355 -0.00215 -0.00279 AlT2 0.00621 0.00481 0.00773 0.00342 -0.00215 0.00051 SiT2 0.00621 0.00481 0.00773 0.00342 -0.00215 0.00051 AlM1 0.01368 0.01368 0.00583 0.00760 0.00215 0.00215 FeM1 0.01368 0.01368 0.00583 0.00760 0.00215 0.00215 MgM1 0.01368 0.01368 0.00583 0.00760 0.00215 0.00215 MnM1 0.01368 0.01368 0.00583 0.00760 0.00215 0.00215 LiM1 0.01368 0.01368 0.00583 0.00760 0.00215 0.00215 AlM2 0.01140 0.01140 0.00963 0.01013 -0.00253 -0.00253 FeM2 0.01140 0.01140 0.00963 0.01013 -0.00253 -0.00253 MgM2 0.01140 0.01140 0.00963 0.01013 -0.00253 -0.00253 MnM2 0.01140 0.01140 0.00963 0.01013 -0.00253 -0.00253 LiM2 0.01140 0.01140 0.00963 0.01013 -0.00253 -0.00253 AlM3 0.00380 0.00380 0.02153 0.00253 -0.00507 -0.00507 FeM3 0.00380 0.00380 0.02153 0.00253 -0.00507 -0.00507 MgM3 0.00380 0.00380 0.02153 0.00253 -0.00507 -0.00507 MnM3 0.00380 0.00380 0.02153 0.00253 -0.00507 -0.00507 LiM3 0.00380 0.00380 0.02153 0.00253 -0.00507 -0.00507 K 0.02394 0.02394 0.03470 0.01077 0.00114 0.00114 Na 0.02394 0.02394 0.03470 0.01077 0.00114 0.00114 O1 0.01013 0.01393 0.00380 0.00507 0.00253 0.00000 O2 0.01520 0.00887 0.02153 0.00887 0.00380 0.00253 O3 0.02280 0.01647 0.01900 0.01013 -0.00887 -0.01140 O4 0.01140 0.02786 0.02660 0.00507 0.00507 0.00253 O5 0.02786 0.01647 0.01900 0.01773 -0.00253 0.00507 O6 0.01900 0.01900 0.01558 0.01266 -0.00127 -0.00127 O-H 0.01900 0.01900 0.01558 0.01266 -0.00127 -0.00127 F 0.01900 0.01900 0.01558 0.01266 -0.00127 -0.00127