data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Brigatti M F' 'Poppi L' _journal_name_full 'European Journal of Mineralogy' _journal_volume 5 _journal_year 1993 _journal_page_first 857 _journal_page_last 871 _publ_section_title ; Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 18 ; _database_code_amcsd 0006494 _chemical_formula_sum 'O11.21 F.79 K.933 Na.06 Ba.007 Al1.069 Fe.246 Mg2.326 Mn.005 Ti.414 Si2.939 H.245' _cell_length_a 5.320 _cell_length_b 9.207 _cell_length_c 10.100 _cell_angle_alpha 90 _cell_angle_beta 100.24 _cell_angle_gamma 90 _cell_volume 486.831 _exptl_crystal_density_diffrn 2.968 _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 0.02520 0.00000 0.16650 1.00000 0.02090 O2 0.31900 0.23520 0.16470 1.00000 0.02140 O3 0.13160 0.16850 0.39060 1.00000 0.01292 O-H4 0.13050 0.50000 0.40130 0.12250 0.01203 F4 0.13050 0.50000 0.40130 0.39500 0.01203 O4 0.13050 0.50000 0.40130 0.48250 0.01203 K 0.00000 0.50000 0.00000 0.93340 0.02951 Na 0.00000 0.50000 0.00000 0.06000 0.02951 Ba 0.00000 0.50000 0.00000 0.00650 0.02951 AlM2 0.00000 0.34150 0.50000 0.00280 0.01634 FeM2 0.00000 0.34150 0.50000 0.08190 0.01634 MgM2 0.00000 0.34150 0.50000 0.77530 0.01634 MnM2 0.00000 0.34150 0.50000 0.00170 0.01634 TiM2 0.00000 0.34150 0.50000 0.13810 0.01634 AlM1 0.00000 0.00000 0.50000 0.00280 0.01406 FeM1 0.00000 0.00000 0.50000 0.08190 0.01406 MgM1 0.00000 0.00000 0.50000 0.77530 0.01406 MnM1 0.00000 0.00000 0.50000 0.00170 0.01406 TiM1 0.00000 0.00000 0.50000 0.13810 0.01406 SiT 0.07440 0.16710 0.22360 0.73470 0.01077 AlT 0.07440 0.16710 0.22360 0.26520 0.01077 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 0.02624 0.01589 0.01952 0.00000 0.00158 0.00000 O2 0.01944 0.02448 0.02002 -0.00562 0.00316 -0.00185 O3 0.01152 0.01159 0.01551 0.00049 0.00185 -0.00046 O-H4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000 F4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000 O4 0.00875 0.01374 0.01351 0.00000 0.00185 0.00000 K 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000 Na 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000 Ba 0.02833 0.02834 0.03153 0.00000 0.00448 0.00000 AlM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000 FeM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000 MgM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000 MnM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000 TiM2 0.00930 0.02276 0.01652 0.00000 0.00158 0.00000 AlM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000 FeM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000 MgM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000 MnM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000 TiM1 0.01125 0.01202 0.01902 0.00000 0.00290 0.00000 SiT 0.00875 0.00988 0.01351 0.00000 0.00158 0.00000 AlT 0.00875 0.00988 0.01351 0.00000 0.00158 0.00000