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: Tai17-1, ferroan ; _database_code_amcsd 0005747 _chemical_compound_source 'Alto Paranaiba Igneous Province, Southeastern Brazil' _chemical_formula_sum 'O12 Si2.8 Al1.12 Fe.62 Mg2.37 Ti.09 Na.02 K.98 Ba.01 H1.88' _cell_length_a 5.3355 _cell_length_b 9.2457 _cell_length_c 10.294 _cell_angle_alpha 90 _cell_angle_beta 99.94 _cell_angle_gamma 90 _cell_volume 500.185 _exptl_crystal_density_diffrn 2.918 _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 0.01090 0.00000 0.16950 1.00000 0.01748 O2 0.32900 0.22710 0.16970 1.00000 0.01735 O3 0.13070 0.16690 0.39130 1.00000 0.00874 O-H4 0.13220 0.50000 0.39740 0.94000 0.00963 O4 0.13220 0.50000 0.39740 0.06000 0.00963 SiT 0.07585 0.16666 0.22742 0.70000 0.00899 AlT 0.07585 0.16666 0.22742 0.28000 0.00899 FeT 0.07585 0.16666 0.22742 0.02000 0.00899 MgM1 0.00000 0.00000 0.50000 0.79000 0.00899 FeM1 0.00000 0.00000 0.50000 0.18000 0.00899 TiM1 0.00000 0.00000 0.50000 0.03000 0.00899 MgM2 0.00000 0.33252 0.50000 0.79000 0.00937 FeM2 0.00000 0.33252 0.50000 0.18000 0.00937 TiM2 0.00000 0.33252 0.50000 0.03000 0.00937 NaA 0.00000 0.50000 0.00000 0.02000 0.02976 KA 0.00000 0.50000 0.00000 0.98000 0.02976 BaA 0.00000 0.50000 0.00000 0.01000 0.02976 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 0.02211 0.01126 0.01667 0.00000 -0.00216 0.00000 O2 0.01651 0.01862 0.01771 -0.00492 0.00432 -0.00285 O3 0.00812 0.00520 0.01302 0.00000 0.00162 0.00000 O-H4 0.00826 0.00650 0.01354 0.00000 0.00081 0.00000 O4 0.00826 0.00650 0.01354 0.00000 0.00081 0.00000 SiT 0.00770 0.00563 0.01354 0.00000 0.00162 0.00000 AlT 0.00770 0.00563 0.01354 0.00000 0.00162 0.00000 FeT 0.00770 0.00563 0.01354 0.00000 0.00162 0.00000 MgM1 0.00742 0.00433 0.01563 0.00000 0.00270 0.00000 FeM1 0.00742 0.00433 0.01563 0.00000 0.00270 0.00000 TiM1 0.00742 0.00433 0.01563 0.00000 0.00270 0.00000 MgM2 0.00672 0.00563 0.01563 0.00000 0.00162 0.00000 FeM2 0.00672 0.00563 0.01563 0.00000 0.00162 0.00000 TiM2 0.00672 0.00563 0.01563 0.00000 0.00162 0.00000 NaA 0.03176 0.03031 0.02656 0.00000 0.00351 0.00000 KA 0.03176 0.03031 0.02656 0.00000 0.00351 0.00000 BaA 0.03176 0.03031 0.02656 0.00000 0.00351 0.00000