data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Brigatti M F' 'Medici L' 'Poppi L' 'Vaccaro C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 1333 _journal_page_last 1345 _publ_section_title ; Crystal chemistry of trioctahedral micas - 1M from the Alto Paranaiba Igneous Province, Southeastern Brazil Sample: Li12a, ferroan ; _database_code_amcsd 0005749 _chemical_compound_source 'Alto Paranaiba Igneous Province, Southeastern Brazil' _chemical_formula_sum 'O11.82 F.18 Si3 Al.92 Fe.53 Mg2.52 Ti.03 Na.04 K.95 H1.72' _cell_length_a 5.331 _cell_length_b 9.227 _cell_length_c 10.275 _cell_angle_alpha 90 _cell_angle_beta 99.96 _cell_angle_gamma 90 _cell_volume 497.801 _exptl_crystal_density_diffrn 2.893 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 O1 0.02260 0.00000 0.17090 1.00000 0.02001 O2 0.32370 0.23310 0.16910 1.00000 0.02102 O3 0.12950 0.16700 0.39080 1.00000 0.00608 O-H4 0.13230 0.50000 0.39680 0.86000 0.00557 F4 0.13230 0.50000 0.39680 0.09000 0.00557 O4 0.13230 0.50000 0.39680 0.05000 0.00557 SiT 0.07580 0.16668 0.22792 0.75000 0.00583 AlT 0.07580 0.16668 0.22792 0.23000 0.00583 FeT 0.07580 0.16668 0.22792 0.02000 0.00583 MgM1 0.00000 0.00000 0.50000 0.84000 0.00633 FeM1 0.00000 0.00000 0.50000 0.15000 0.00633 TiM1 0.00000 0.00000 0.50000 0.01000 0.00633 MgM2 0.00000 0.33330 0.50000 0.84000 0.00798 FeM2 0.00000 0.33330 0.50000 0.15000 0.00798 TiM2 0.00000 0.33330 0.50000 0.01000 0.00798 NaA 0.00000 0.50000 0.00000 0.04000 0.03268 KA 0.00000 0.50000 0.00000 0.95000 0.03268 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 O1 0.02793 0.01337 0.01816 0.00000 0.00431 0.00000 O2 0.01788 0.02890 0.01712 -0.00712 0.00485 -0.00189 O3 0.00405 0.00474 0.00986 0.00025 0.00215 0.00047 O-H4 0.00419 0.00431 0.00830 0.00000 0.00162 0.00000 F4 0.00419 0.00431 0.00830 0.00000 0.00162 0.00000 O4 0.00419 0.00431 0.00830 0.00000 0.00162 0.00000 SiT 0.00307 0.00431 0.00986 0.00000 0.00162 -0.00047 AlT 0.00307 0.00431 0.00986 0.00000 0.00162 -0.00047 FeT 0.00307 0.00431 0.00986 0.00000 0.00162 -0.00047 MgM1 0.00321 0.00431 0.01193 0.00000 0.00269 0.00000 FeM1 0.00321 0.00431 0.01193 0.00000 0.00269 0.00000 TiM1 0.00321 0.00431 0.01193 0.00000 0.00269 0.00000 MgM2 0.00475 0.00647 0.01297 0.00000 0.00269 0.00000 FeM2 0.00475 0.00647 0.01297 0.00000 0.00269 0.00000 TiM2 0.00475 0.00647 0.01297 0.00000 0.00269 0.00000 NaA 0.03240 0.03839 0.02698 0.00000 0.00404 0.00000 KA 0.03240 0.03839 0.02698 0.00000 0.00404 0.00000