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 = 100 K ; _database_code_amcsd 0004547 _chemical_compound_source 'trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K (Mg2.219 Fe.781) Si2.704 Al1.229 O12 H1.186' _cell_length_a 5.3278 _cell_length_b 9.2225 _cell_length_c 10.2087 _cell_angle_alpha 90 _cell_angle_beta 100.031 _cell_angle_gamma 90 _cell_volume 493.943 _exptl_crystal_density_diffrn 2.951 _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 1.02760 0.01720 MgM1 0.00000 0.00000 0.50000 0.74080 0.00630 FeM1 0.00000 0.00000 0.50000 0.25920 0.00630 MgM2 0.00000 0.33520 0.50000 0.73930 0.00720 FeM2 0.00000 0.33520 0.50000 0.26070 0.00720 Si 0.07495 0.16686 0.22520 0.67610 0.00670 Al 0.07495 0.16686 0.22520 0.30730 0.00670 O1 0.33269 0.22311 0.16797 1.00000 0.01360 O2 0.00190 0.00000 0.16889 1.00000 0.01360 O3 0.13082 0.16751 0.39136 1.00000 0.00840 O4 0.13190 0.50000 0.39874 1.00000 0.00860 H 0.11100 0.50000 0.31900 0.59310 0.00860 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 0.01597 0.01614 0.01970 0.00000 0.00382 0.00000 MgM1 0.00543 0.00495 0.00922 0.00000 0.00292 0.00000 FeM1 0.00543 0.00495 0.00922 0.00000 0.00292 0.00000 MgM2 0.00423 0.00967 0.00774 0.00000 0.00103 0.00000 FeM2 0.00423 0.00967 0.00774 0.00000 0.00103 0.00000 Si 0.00575 0.00654 0.00789 0.00005 0.00150 0.00018 Al 0.00575 0.00654 0.00789 0.00005 0.00150 0.00018 O1 0.01270 0.01730 0.01120 -0.00350 0.00310 -0.00220 O2 0.01800 0.01110 0.01090 0.00000 0.00000 0.00000 O3 0.00810 0.00840 0.00850 0.00019 0.00135 0.00010 O4 0.00830 0.01070 0.00690 0.00000 0.00150 0.00000