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 = 200 K ; _database_code_amcsd 0004548 _chemical_compound_source 'trioctahedral mica, Cava St. Antonia, Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K (Mg2.201 Fe.799) Si2.699 Al1.227 O12 H1.189' _cell_length_a 5.3310 _cell_length_b 9.2298 _cell_length_c 10.2217 _cell_angle_alpha 90 _cell_angle_beta 100.031 _cell_angle_gamma 90 _cell_volume 495.261 _exptl_crystal_density_diffrn 2.946 _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 1.02790 0.02370 MgM1 0.00000 0.00000 0.50000 0.73650 0.00800 FeM1 0.00000 0.00000 0.50000 0.26350 0.00800 MgM2 0.00000 0.33520 0.50000 0.73220 0.00880 FeM2 0.00000 0.33520 0.50000 0.26780 0.00880 Si 0.07508 0.16685 0.22553 0.67480 0.00780 Al 0.07508 0.16685 0.22553 0.30670 0.00780 O1 0.33154 0.22433 0.16831 1.00000 0.01580 O2 0.00460 0.00000 0.16928 1.00000 0.01600 O3 0.13087 0.16746 0.39151 1.00000 0.00950 O4 0.13181 0.50000 0.39884 1.00000 0.00990 H 0.10700 0.50000 0.32700 0.59460 0.00990 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 0.02320 0.02350 0.02450 0.00000 0.00481 0.00000 MgM1 0.00670 0.00630 0.01120 0.00000 0.00320 0.00000 FeM1 0.00670 0.00630 0.01120 0.00000 0.00320 0.00000 MgM2 0.00550 0.01080 0.00970 0.00000 0.00113 0.00000 FeM2 0.00550 0.01080 0.00970 0.00000 0.00113 0.00000 Si 0.00691 0.00740 0.00920 0.00007 0.00165 0.00014 Al 0.00691 0.00740 0.00920 0.00007 0.00165 0.00014 O1 0.01480 0.02040 0.01290 -0.00460 0.00370 -0.00260 O2 0.02170 0.01240 0.01300 0.00000 -0.00010 0.00000 O3 0.00930 0.00970 0.00970 0.00030 0.00150 0.00020 O4 0.00940 0.01130 0.00910 0.00000 0.00170 0.00000