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: Ma1, titanian ; _database_code_amcsd 0005752 _chemical_compound_source 'Alto Paranaiba Igneous Province, Southeastern Brazil' _chemical_formula_sum 'O11.08 F.92 (Si2.96 Al1.04) Mg2.74 Fe2.14 Ti2.11 (Na.02 K.97 Ba.01) H.86' _cell_length_a 5.317 _cell_length_b 9.208 _cell_length_c 10.118 _cell_angle_alpha 90 _cell_angle_beta 100.15 _cell_angle_gamma 90 _cell_volume 487.614 _exptl_crystal_density_diffrn 4.316 _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 0.03220 0.00000 0.16610 1.00000 0.02014 O2 0.31640 0.23890 0.16500 1.00000 0.02090 O3 0.13050 0.16800 0.39000 1.00000 0.01077 O-H4 0.13080 0.50000 0.40020 0.43000 0.01355 F4 0.13080 0.50000 0.40020 0.46000 0.01355 O4 0.13080 0.50000 0.40020 0.11000 0.01355 SiT 0.07455 0.16694 0.22406 0.74000 0.00773 AlT 0.07455 0.16694 0.22406 0.26000 0.00773 MgM1 0.00000 0.00000 0.50000 0.74000 0.00798 FeM1 0.00000 0.00000 0.50000 0.14000 0.00798 TiM1 0.00000 0.00000 0.50000 0.11000 0.00798 MgM2 0.00000 0.33960 0.50000 1.00000 0.01178 FeM2 0.00000 0.33960 0.50000 1.00000 0.01178 TiM2 0.00000 0.33960 0.50000 1.00000 0.01178 NaA 0.00000 0.50000 0.00000 0.02000 0.02862 KA 0.00000 0.50000 0.00000 0.97000 0.02862 BaA 0.00000 0.50000 0.00000 0.01000 0.02862 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 0.02997 0.01289 0.01658 0.00000 0.00211 0.00000 O2 0.02054 0.02491 0.01709 -0.00684 0.00290 -0.00232 O3 0.01193 0.00816 0.01256 0.00024 0.00264 0.00046 O-H4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000 F4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000 O4 0.01249 0.01460 0.01357 0.00000 0.00317 0.00000 SiT 0.00749 0.00472 0.01106 0.00024 0.00238 0.00000 AlT 0.00749 0.00472 0.01106 0.00024 0.00238 0.00000 MgM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000 FeM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000 TiM1 0.00638 0.00387 0.01407 0.00000 0.00370 0.00000 MgM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000 FeM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000 TiM2 0.00735 0.01546 0.01307 0.00000 0.00264 0.00000 NaA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000 KA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000 BaA 0.02817 0.02577 0.03216 0.00000 0.00555 0.00000