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-r ; _database_code_amcsd 0006976 _chemical_formula_sum 'Si3.13 Al1.88 Ti.05 Fe1.02 Mg.08 Mn.08 Li.65 K.97 Na.02 O10.75 F1.25 H.25' _cell_length_a 5.305 _cell_length_b 5.305 _cell_length_c 29.827 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 726.961 _exptl_crystal_density_diffrn 3.037 _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 0.22000 0.79310 0.90997 0.78250 0.01317 AlT1 0.22000 0.79310 0.90997 0.21750 0.01317 SiT2 0.54630 0.44700 0.90896 0.78250 0.00583 AlT2 0.54630 0.44700 0.90896 0.21750 0.00583 TiM1 0.89560 0.44780 0.00000 0.01670 0.00735 AlM1 0.89560 0.44780 0.00000 0.33670 0.00735 FeM1 0.89560 0.44780 0.00000 0.34000 0.00735 MgM1 0.89560 0.44780 0.00000 0.02670 0.00735 MnM1 0.89560 0.44780 0.00000 0.02670 0.00735 LiM1 0.89560 0.44780 0.00000 0.21670 0.00735 TiM2 0.23720 0.11860 0.00000 0.01670 0.00760 AlM2 0.23720 0.11860 0.00000 0.33670 0.00760 FeM2 0.23720 0.11860 0.00000 0.34000 0.00760 MgM2 0.23720 0.11860 0.00000 0.02670 0.00760 MnM2 0.23720 0.11860 0.00000 0.02670 0.00760 LiM2 0.23720 0.11860 0.00000 0.21670 0.00760 TiM3 0.56150 0.78080 0.00000 0.01670 0.01393 AlM3 0.56150 0.78080 0.00000 0.33670 0.01393 FeM3 0.56150 0.78080 0.00000 0.34000 0.01393 MgM3 0.56150 0.78080 0.00000 0.02670 0.01393 MnM3 0.56150 0.78080 0.00000 0.02670 0.01393 LiM3 0.56150 0.78080 0.00000 0.21670 0.01393 K 0.88170 0.11830 0.83333 0.97000 0.02862 Na 0.88170 0.11830 0.83333 0.02000 0.02862 O1 0.22800 0.81000 0.96360 1.00000 0.01013 O2 0.53100 0.41990 0.96510 1.00000 0.01013 O3 0.35970 0.11400 0.88697 1.00000 0.01786 O4 0.88600 0.59510 0.89091 1.00000 0.02280 O5 0.40500 0.64400 0.88900 1.00000 0.01773 O6 0.94150 0.12000 0.96618 0.25000 0.01520 O-H 0.94150 0.12000 0.96618 0.12500 0.01520 F 0.94150 0.12000 0.96618 0.62500 0.01520 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 0.00507 0.01051 0.02090 0.00139 -0.00279 -0.00405 AlT1 0.00507 0.01051 0.02090 0.00139 -0.00279 -0.00405 SiT2 0.00773 0.00139 0.00684 0.00114 -0.00342 -0.00025 AlT2 0.00773 0.00139 0.00684 0.00114 -0.00342 -0.00025 TiM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 AlM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 FeM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 MgM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 MnM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 LiM1 0.00747 0.00747 0.00418 0.00127 -0.00025 -0.00025 TiM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 AlM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 FeM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 MgM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 MnM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 LiM2 0.00633 0.00633 0.00773 0.00127 -0.00380 -0.00380 TiM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 AlM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 FeM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 MgM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 MnM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 LiM3 0.00709 0.00709 0.02533 0.00253 -0.00760 -0.00760 K 0.02482 0.02482 0.03534 0.01190 0.00127 0.00127 Na 0.02482 0.02482 0.03534 0.01190 0.00127 0.00127 O1 0.01140 0.01647 0.00507 0.00760 0.00000 -0.00253 O2 0.01393 0.00253 0.01647 0.00608 0.00253 0.00127 O3 0.02280 0.01241 0.01811 0.00887 -0.00887 -0.01013 O4 0.01013 0.02660 0.02533 0.00380 0.00507 0.00127 O5 0.02406 0.01647 0.01900 0.01647 -0.00127 0.00633 O6 0.01520 0.01773 0.01343 0.00887 0.00000 0.00127 O-H 0.01520 0.01773 0.01343 0.00887 0.00000 0.00127 F 0.01520 0.01773 0.01343 0.00887 0.00000 0.00127