data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Mesto E' 'Schingaro E' 'Scordari F' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 182 _journal_page_last 190 _publ_section_title ; An electron microprobe analysis, secondary ion mass spectrometry and single crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: Consideration of cation partioning Sample: LC7-27Go Note: mica ; _database_code_amcsd 0004004 _chemical_compound_source 'Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K.9 Na.05 Ba.04 Mg2.36 Fe.38 Al1.5 Ti.06 Si2.68 O11.63 F.37 H1.61' _cell_length_a 5.346 _cell_length_b 9.257 _cell_length_c 10.312 _cell_angle_alpha 90 _cell_angle_beta 99.97 _cell_angle_gamma 90 _cell_volume 502.613 _exptl_crystal_density_diffrn 2.866 _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 0.00000 0.00000 0.90000 0.03100 Na 0.00000 0.00000 0.00000 0.05000 0.03100 Ba 0.00000 0.00000 0.00000 0.04000 0.03100 MgM1 0.00000 0.50000 0.50000 0.82000 0.01100 Fe2+M1 0.00000 0.50000 0.50000 0.12000 0.01100 AlM1 0.00000 0.50000 0.50000 0.06000 0.01100 MgM2 0.00000 0.83240 0.50000 0.77000 0.01200 Fe2+M2 0.00000 0.83240 0.50000 0.10000 0.01200 AlM2 0.00000 0.83240 0.50000 0.09000 0.01200 TiM2 0.00000 0.83240 0.50000 0.03000 0.01200 SiT 0.57580 0.16660 0.22740 0.67000 0.01310 AlT 0.57580 0.16660 0.22740 0.31500 0.01310 Fe3+T 0.57580 0.16660 0.22740 0.01500 0.01310 O1 0.83160 0.22500 0.17010 1.00000 0.02300 O2 0.50700 0.00000 0.17020 1.00000 0.02100 O3 0.63020 0.16670 0.39240 1.00000 0.01600 O-H4 0.13300 0.00000 0.39890 0.80500 0.01600 F4 0.13300 0.00000 0.39890 0.18500 0.01600 O4 0.13300 0.00000 0.39890 0.01000 0.01600 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 0.03400 0.03200 0.02700 0.00000 0.00400 0.00000 Na 0.03400 0.03200 0.02700 0.00000 0.00400 0.00000 Ba 0.03400 0.03200 0.02700 0.00000 0.00400 0.00000 MgM1 0.01000 0.01000 0.01500 0.00000 0.00400 0.00000 Fe2+M1 0.01000 0.01000 0.01500 0.00000 0.00400 0.00000 AlM1 0.01000 0.01000 0.01500 0.00000 0.00400 0.00000 MgM2 0.01000 0.01200 0.01400 0.00000 0.00040 0.00000 Fe2+M2 0.01000 0.01200 0.01400 0.00000 0.00040 0.00000 AlM2 0.01000 0.01200 0.01400 0.00000 0.00040 0.00000 TiM2 0.01000 0.01200 0.01400 0.00000 0.00040 0.00000 SiT 0.01230 0.01300 0.01450 -0.00120 0.00260 0.00030 AlT 0.01230 0.01300 0.01450 -0.00120 0.00260 0.00030 Fe3+T 0.01230 0.01300 0.01450 -0.00120 0.00260 0.00030 O1 0.02400 0.02700 0.02000 -0.00400 0.00600 -0.00200 O2 0.02900 0.02200 0.01400 0.00000 -0.00100 0.00000 O3 0.01500 0.01400 0.01800 0.00100 0.00100 0.00100 O-H4 0.01700 0.01600 0.01700 0.00000 0.00400 0.00000 F4 0.01700 0.01600 0.01700 0.00000 0.00400 0.00000 O4 0.01700 0.01600 0.01700 0.00000 0.00400 0.00000