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: Tpg63-2B ; _database_code_amcsd 0001814 _chemical_formula_sum '(Si2.72 Al1.28) Ti.18 Fe.87 Mg1.89 Mn.03 (K Ba) O11.98 F.02 H1.74' _cell_length_a 5.3405 _cell_length_b 9.244 _cell_length_c 10.253 _cell_angle_alpha 90 _cell_angle_beta 100.09 _cell_angle_gamma 90 _cell_volume 498.337 _exptl_crystal_density_diffrn 3.905 _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 0.16669 0.22652 0.68000 Al 0.07560 0.16669 0.22652 0.32000 Ti1 0.00000 0.00000 0.50000 0.06000 Fe1 0.00000 0.00000 0.50000 0.29000 Mg1 0.00000 0.00000 0.50000 0.63000 Mn1 0.00000 0.00000 0.50000 0.01000 Ti2 0.00000 0.33350 0.50000 0.06000 Fe2 0.00000 0.33350 0.50000 0.29000 Mg2 0.00000 0.33350 0.50000 0.63000 Mn2 0.00000 0.33350 0.50000 0.01000 K 0.00000 0.50000 0.00000 1.00000 Ba 0.00000 0.50000 0.00000 1.00000 O1 0.01600 0.00000 0.17040 1.00000 O2 0.32710 0.22930 0.16950 1.00000 O3 0.13110 0.16710 0.39100 1.00000 O-H4 0.13090 0.50000 0.39720 0.87000 F4 0.13090 0.50000 0.39720 0.01000 O4 0.13090 0.50000 0.39720 0.12000 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 0.01583 0.02078 0.02065 -0.00025 0.00376 0.00000 Al 0.01583 0.02078 0.02065 -0.00025 0.00376 0.00000 Ti1 0.01583 0.01948 0.02271 0.00000 0.00511 0.00000 Fe1 0.01583 0.01948 0.02271 0.00000 0.00511 0.00000 Mg1 0.01583 0.01948 0.02271 0.00000 0.00511 0.00000 Mn1 0.01583 0.01948 0.02271 0.00000 0.00511 0.00000 Ti2 0.01499 0.02121 0.02220 0.00000 0.00350 0.00000 Fe2 0.01499 0.02121 0.02220 0.00000 0.00350 0.00000 Mg2 0.01499 0.02121 0.02220 0.00000 0.00350 0.00000 Mn2 0.01499 0.02121 0.02220 0.00000 0.00350 0.00000 K 0.03922 0.04416 0.03510 0.00000 0.00565 0.00000 Ba 0.03922 0.04416 0.03510 0.00000 0.00565 0.00000 O1 0.03361 0.02944 0.02788 0.00000 0.00323 0.00000 O2 0.02717 0.03853 0.02375 -0.00542 0.00538 -0.00189 O3 0.01737 0.02208 0.02220 -0.00049 0.00430 0.00000 O-H4 0.01639 0.02381 0.02065 0.00000 0.00269 0.00000 F4 0.01639 0.02381 0.02065 0.00000 0.00269 0.00000 O4 0.01639 0.02381 0.02065 0.00000 0.00269 0.00000