data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Brigatti M F' 'Medici L' 'Saccani E' 'Vaccaro C' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 913 _journal_page_last 927 _publ_section_title ; Crystal chemistry and petrologic significance of Fe3+-rich phlogopite from the Tapira carbonatite complex, Brazil Sample: Tpq16-6B ; _database_code_amcsd 0001822 _chemical_formula_sum 'Si3.16 Al.04 Fe1.22 Ti.03 Mg2.55 K.95 Na.02 O11.9 F.1 H1.56' _cell_length_a 5.356 _cell_length_b 9.284 _cell_length_c 10.309 _cell_angle_alpha 90 _cell_angle_beta 100.03 _cell_angle_gamma 90 _cell_volume 504.782 _exptl_crystal_density_diffrn 2.979 _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 Si 0.07560 0.16665 0.22661 0.79000 Al 0.07560 0.16665 0.22661 0.01000 Fe 0.07560 0.16665 0.22661 0.20000 Ti1 0.00000 0.00000 0.50000 0.01000 Fe1 0.00000 0.00000 0.50000 0.14000 Mg1 0.00000 0.00000 0.50000 0.85000 Ti2 0.00000 0.33290 0.50000 0.01000 Fe2 0.00000 0.33290 0.50000 0.14000 Mg2 0.00000 0.33290 0.50000 0.85000 K 0.00000 0.50000 0.00000 0.95000 Na 0.00000 0.50000 0.00000 0.02000 O1 0.00460 0.00000 0.16950 1.00000 O2 0.33200 0.22380 0.16990 1.00000 O3 0.13020 0.16710 0.39090 1.00000 O-H4 0.13270 0.50000 0.39780 0.78000 F4 0.13270 0.50000 0.39780 0.05000 O4 0.13270 0.50000 0.39780 0.17000 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 Si 0.02184 0.01485 0.02349 0.00000 0.00542 0.00000 Al 0.02184 0.01485 0.02349 0.00000 0.00542 0.00000 Fe 0.02184 0.01485 0.02349 0.00000 0.00542 0.00000 Ti1 0.02212 0.01397 0.02558 0.00000 0.00624 0.00000 Fe1 0.02212 0.01397 0.02558 0.00000 0.00624 0.00000 Mg1 0.02212 0.01397 0.02558 0.00000 0.00624 0.00000 Ti2 0.01959 0.01135 0.02349 0.00000 0.00570 0.00000 Fe2 0.01959 0.01135 0.02349 0.00000 0.00570 0.00000 Mg2 0.01959 0.01135 0.02349 0.00000 0.00570 0.00000 K 0.04425 0.03668 0.03550 0.00000 0.00651 0.00000 Na 0.04425 0.03668 0.03550 0.00000 0.00651 0.00000 O1 0.04791 0.03624 0.03341 0.00000 0.00136 0.00000 O2 0.04777 0.03974 0.03341 -0.00496 0.00976 -0.00430 O3 0.02142 0.01310 0.02558 0.00000 0.00597 0.00048 O-H4 0.02198 0.01310 0.02454 0.00000 0.00542 0.00000 F4 0.02198 0.01310 0.02454 0.00000 0.00542 0.00000 O4 0.02198 0.01310 0.02454 0.00000 0.00542 0.00000