data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Zema M' 'Ventruti G' 'Lacalamita M' 'Scordari F' _journal_name_full 'American Mineralogist' _journal_volume 95 _journal_year 2010 _journal_page_first 1458 _journal_page_last 1466 _publ_section_title ; Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_5n ; _database_code_amcsd 0017715 _chemical_compound_source 'Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K (Mg2.216 Fe.784) (Si2.64 Al1.36) O12 H1.478' _cell_length_a 5.3388 _cell_length_b 9.2464 _cell_length_c 10.2365 _cell_angle_alpha 90 _cell_angle_beta 100.037 _cell_angle_gamma 90 _cell_volume 497.588 _exptl_crystal_density_diffrn 2.944 _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 K 0.00000 0.50000 0.00000 1.03670 0.03050 Mg1 0.00000 0.00000 0.50000 0.74140 0.00930 Fe1 0.00000 0.00000 0.50000 0.25860 0.00930 Mg2 0.00000 0.33529 0.50000 0.73710 0.01040 Fe2 0.00000 0.33529 0.50000 0.26290 0.01040 Si 0.07513 0.16684 0.22573 0.66000 0.00940 Al 0.07513 0.16684 0.22573 0.34000 0.00940 O1 0.33059 0.22562 0.16869 1.00000 0.01870 O2 0.00690 0.00000 0.16939 1.00000 0.01870 O3 0.13087 0.16741 0.39169 1.00000 0.01130 O4 0.13224 0.50000 0.39883 1.00000 0.01240 H 0.11600 0.50000 0.32000 0.73890 0.09000 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 K 0.03070 0.03080 0.03000 0.00000 -0.00530 0.00000 Mg1 0.00826 0.00752 0.01280 0.00000 -0.00359 0.00000 Fe1 0.00826 0.00752 0.01280 0.00000 -0.00359 0.00000 Mg2 0.00683 0.01226 0.01191 0.00000 -0.00142 0.00000 Fe2 0.00683 0.01226 0.01191 0.00000 -0.00142 0.00000 Si 0.00883 0.00902 0.01052 -0.00009 -0.00194 -0.00002 Al 0.00883 0.00902 0.01052 -0.00009 -0.00194 -0.00002 O1 0.01740 0.02410 0.01520 -0.00610 -0.00420 -0.00310 O2 0.02660 0.01350 0.01470 0.00000 -0.00040 0.00000 O3 0.01230 0.01120 0.01070 -0.00031 -0.00202 -0.00020 O4 0.01190 0.01440 0.01100 0.00000 -0.00170 0.00000