data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Ventruti G' 'Zema M' 'Scordari F' 'Pedrazzi G' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 632 _journal_page_last 643 _publ_section_title ; Thermal behavior of a Ti-rich phlogopite from Mt. Vulture (Potenza, Italy): An in situ X-ray single-crystal diffraction study Sample: T = 298 K ; _database_code_amcsd 0004549 _chemical_compound_source 'trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K (Mg2.203 Fe.797) Si2.698 Al1.226 O12 H1.187' _cell_length_a 5.3365 _cell_length_b 9.2438 _cell_length_c 10.2331 _cell_angle_alpha 90 _cell_angle_beta 100.031 _cell_angle_gamma 90 _cell_volume 497.078 _exptl_crystal_density_diffrn 2.934 _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 1.02530 0.03090 MgM1 0.00000 0.00000 0.50000 0.73810 0.00960 FeM1 0.00000 0.00000 0.50000 0.26190 0.00960 MgM2 0.00000 0.33517 0.50000 0.73260 0.01050 FeM2 0.00000 0.33517 0.50000 0.26740 0.01050 Si 0.07523 0.16684 0.22587 0.67450 0.00930 Al 0.07523 0.16684 0.22587 0.30660 0.00930 O1 0.33016 0.22599 0.16870 1.00000 0.01880 O2 0.00800 0.00000 0.16946 1.00000 0.01880 O3 0.13081 0.16746 0.39157 1.00000 0.01090 O4 0.13192 0.50000 0.39889 1.00000 0.01210 H 0.11300 0.50000 0.32500 0.59360 0.01210 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 0.03160 0.03040 0.03100 0.00000 0.00590 0.00000 MgM1 0.00870 0.00680 0.01360 0.00000 0.00360 0.00000 FeM1 0.00870 0.00680 0.01360 0.00000 0.00360 0.00000 MgM2 0.00740 0.01160 0.01230 0.00000 0.00180 0.00000 FeM2 0.00740 0.01160 0.01230 0.00000 0.00180 0.00000 Si 0.00874 0.00819 0.01100 0.00008 0.00215 0.00005 Al 0.00874 0.00819 0.01100 0.00008 0.00215 0.00005 O1 0.01780 0.02350 0.01580 -0.00630 0.00470 -0.00310 O2 0.02650 0.01280 0.01590 0.00000 0.00010 0.00000 O3 0.01140 0.01090 0.01080 -0.00020 0.00220 -0.00030 O4 0.01150 0.01320 0.01160 0.00000 0.00190 0.00000