data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Scordari F' 'Schingaro E' 'Ventruti G' 'Lacalamita M' 'Ottolini L' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 35 _journal_year 2008 _journal_page_first 163 _journal_page_last 174 _publ_section_title ; Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content appraisal by a multi-methodic approach Note: Sample LC6_R29 ; _database_code_amcsd 0018309 _chemical_compound_source 'Mt. Vulture, Italy' _chemical_formula_sum 'K (Mg2.188 Fe.812) Si4 O12 H1.554' _cell_length_a 5.3400 _cell_length_b 9.2376 _cell_length_c 10.2414 _cell_angle_alpha 90 _cell_angle_beta 100.014 _cell_angle_gamma 90 _cell_volume 497.499 _exptl_crystal_density_diffrn 2.961 _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 1.00000 0.03130 MgM1 0.00000 0.00000 0.50000 0.77800 0.01050 FeM1 0.00000 0.00000 0.50000 0.22200 0.01050 MgM2 0.00000 0.33710 0.50000 0.70500 0.01140 FeM2 0.00000 0.33710 0.50000 0.29500 0.01140 Si 0.07470 0.16720 0.22510 1.00000 0.01060 O1 0.32740 0.22870 0.16900 1.00000 0.02280 O2 0.01300 0.00000 0.17080 1.00000 0.02210 O3 0.13170 0.16930 0.39230 1.00000 0.01380 O4 0.13200 0.50000 0.39970 1.00000 0.01580 H 0.11000 0.50000 0.31000 0.77700 0.01580 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 0.02600 0.02500 0.04400 0.00000 0.00800 0.00000 MgM1 0.00800 0.00700 0.01700 0.00000 0.00400 0.00000 FeM1 0.00800 0.00700 0.01700 0.00000 0.00400 0.00000 MgM2 0.00800 0.01040 0.01550 0.00000 0.00170 0.00000 FeM2 0.00800 0.01040 0.01550 0.00000 0.00170 0.00000 Si 0.00870 0.00880 0.01430 -0.00070 0.00230 -0.00090 O1 0.02000 0.03000 0.01900 -0.01100 0.00500 -0.00500 O2 0.03000 0.01300 0.02100 0.00000 -0.00200 0.00000 O3 0.01300 0.01300 0.01500 0.00000 0.00200 0.00000 O4 0.01600 0.01500 0.01700 0.00000 0.00500 0.00000 H 0.01600 0.01500 0.01700 0.00000 0.00500 0.00000