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: Tas27-2Bb ; _database_code_amcsd 0001811 _chemical_formula_sum 'Si2.84 Al1.04 Fe.39 Ti.06 Mg2.67 (K.96 Na.03 Ba.01) O11.96 F.04 H1.8' _cell_length_a 5.330 _cell_length_b 9.2346 _cell_length_c 10.3010 _cell_angle_alpha 90 _cell_angle_beta 99.92 _cell_angle_gamma 90 _cell_volume 499.439 _exptl_crystal_density_diffrn 2.865 _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 0.07606 0.16669 0.22828 0.71000 Al 0.07606 0.16669 0.22828 0.26000 Fe 0.07606 0.16669 0.22828 0.03000 Ti1 0.00000 0.00000 0.50000 0.02000 Fe1 0.00000 0.00000 0.50000 0.09000 Mg1 0.00000 0.00000 0.50000 0.89000 Ti2 0.00000 0.33224 0.50000 0.02000 Fe2 0.00000 0.33224 0.50000 0.09000 Mg2 0.00000 0.33224 0.50000 0.89000 K 0.00000 0.50000 0.00000 0.96000 Na 0.00000 0.50000 0.00000 0.03000 Ba 0.00000 0.50000 0.00000 0.01000 O1 0.01340 0.00000 0.17040 1.00000 O2 0.32810 0.22840 0.17030 1.00000 O3 0.13000 0.16670 0.39100 1.00000 O-H4 0.13260 0.50000 0.39760 0.90000 F4 0.13260 0.50000 0.39760 0.02000 O4 0.13260 0.50000 0.39760 0.08000 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 0.00670 0.00691 0.00730 0.00000 0.00162 0.00000 Al 0.00670 0.00691 0.00730 0.00000 0.00162 0.00000 Fe 0.00670 0.00691 0.00730 0.00000 0.00162 0.00000 Ti1 0.00950 0.00950 0.01252 0.00000 0.00297 0.00000 Fe1 0.00950 0.00950 0.01252 0.00000 0.00297 0.00000 Mg1 0.00950 0.00950 0.01252 0.00000 0.00297 0.00000 Ti2 0.00768 0.00821 0.01095 0.00000 0.00189 0.00000 Fe2 0.00768 0.00821 0.01095 0.00000 0.00189 0.00000 Mg2 0.00768 0.00821 0.01095 0.00000 0.00189 0.00000 K 0.03757 0.03759 0.02191 0.00000 0.00405 0.00000 Na 0.03757 0.03759 0.02191 0.00000 0.00405 0.00000 Ba 0.03757 0.03759 0.02191 0.00000 0.00405 0.00000 O1 0.02639 0.01512 0.01252 0.00000 0.00162 0.00000 O2 0.01843 0.02419 0.01252 -0.00590 0.00405 -0.00237 O3 0.00964 0.00864 0.00939 0.00025 0.00243 -0.00047 O-H4 0.00964 0.01037 0.00939 0.00000 0.00108 0.00000 F4 0.00964 0.01037 0.00939 0.00000 0.00108 0.00000 O4 0.00964 0.01037 0.00939 0.00000 0.00108 0.00000