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_15n ; _database_code_amcsd 0017716 _chemical_compound_source 'Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K (Mg2.234 Fe.766) (Si2.64 Al1.36) O12 H1.597' _cell_length_a 5.3435 _cell_length_b 9.2530 _cell_length_c 10.2458 _cell_angle_alpha 90 _cell_angle_beta 100.006 _cell_angle_gamma 90 _cell_volume 498.882 _exptl_crystal_density_diffrn 2.933 _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 1.03300 0.03270 Mg1 0.00000 0.00000 0.50000 0.74790 0.01080 Fe1 0.00000 0.00000 0.50000 0.25200 0.01080 Mg2 0.00000 0.33531 0.50000 0.74290 0.01170 Fe2 0.00000 0.33531 0.50000 0.25710 0.01170 Si 0.07522 0.16690 0.22591 0.66000 0.01100 Al 0.07522 0.16690 0.22591 0.34000 0.01100 O1 0.33000 0.22577 0.16855 1.00000 0.01980 O2 0.00800 0.00000 0.16970 1.00000 0.02040 O3 0.13070 0.16748 0.39138 1.00000 0.01270 O4 0.13170 0.50000 0.39870 1.00000 0.01370 H 0.10000 0.50000 0.31500 0.79840 0.07000 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 0.03270 0.03260 0.03290 0.00000 -0.00550 0.00000 Mg1 0.00910 0.00780 0.01620 0.00000 -0.00370 0.00000 Fe1 0.00910 0.00780 0.01620 0.00000 -0.00370 0.00000 Mg2 0.00770 0.01330 0.01400 0.00000 -0.00151 0.00000 Fe2 0.00770 0.01330 0.01400 0.00000 -0.00151 0.00000 Si 0.00979 0.00981 0.01360 -0.00014 -0.00239 -0.00010 Al 0.00979 0.00981 0.01360 -0.00014 -0.00239 -0.00010 O1 0.01720 0.02410 0.01870 -0.00600 -0.00470 -0.00330 O2 0.02540 0.01610 0.01810 0.00000 -0.00020 0.00000 O3 0.01220 0.01230 0.01370 -0.00020 -0.00260 -0.00010 O4 0.01180 0.01540 0.01400 0.00000 -0.00210 0.00000