data_global _chemical_name_mineral 'Muscovite-2M1' loop_ _publ_author_name 'Brigatti M F' 'Frigieri P' 'Poppi L' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 775 _journal_page_last 785 _publ_section_title ; Crystal chemistry of Mg-, Fe-bearing muscovites-2M1 Sample H87b from peraluminous granites at Sardinia, Italy ; _database_code_amcsd 0002017 _chemical_formula_sum '(K.96 Na.04) Si3.08 Al2.68 Fe.3 O11.96 F.04' _cell_length_a 5.209 _cell_length_b 9.035 _cell_length_c 20.066 _cell_angle_alpha 90 _cell_angle_beta 95.68 _cell_angle_gamma 90 _cell_volume 939.736 _exptl_crystal_density_diffrn 2.871 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 K 0.00000 0.09790 0.25000 0.96000 Na 0.00000 0.09790 0.25000 0.04000 Si1 0.45200 0.25780 0.13565 0.77000 Al1 0.45200 0.25780 0.13565 0.23000 Si2 0.96470 0.42890 0.13567 0.77000 Al2 0.96470 0.42890 0.13567 0.23000 Fe2 0.25070 0.08350 0.00009 0.15000 Al2 0.25070 0.08350 0.00009 0.85000 Al1 0.75000 0.25000 0.00000 0.06000 O11 0.74720 0.31370 0.15840 1.00000 O21 0.24370 0.36740 0.16920 1.00000 O22 0.42300 0.09290 0.16840 1.00000 O31 0.39030 0.25160 0.05370 1.00000 O32 0.96200 0.44210 0.05360 1.00000 O4 0.95550 0.06360 0.05040 0.98000 F4 0.95550 0.06360 0.05040 0.02000 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 0.03389 0.03846 0.04161 0.00000 0.00629 0.00000 Na 0.03389 0.03846 0.04161 0.00000 0.00629 0.00000 Si1 0.01552 0.02316 0.02525 0.00024 0.00378 0.00000 Al1 0.01552 0.02316 0.02525 0.00024 0.00378 0.00000 Si2 0.01987 0.02109 0.02464 -0.00024 0.00419 0.00091 Al2 0.01987 0.02109 0.02464 -0.00024 0.00419 0.00091 Fe2 0.01851 0.02523 0.02727 0.00047 0.00425 0.00082 Al2 0.01851 0.02523 0.02727 0.00047 0.00425 0.00082 O11 0.02750 0.03226 0.03454 -0.00285 0.00315 0.00548 O21 0.03362 0.03474 0.02909 0.00166 0.00210 -0.00274 O22 0.02668 0.02647 0.03090 0.00000 0.00419 -0.00091 O31 0.02518 0.02853 0.02606 0.00308 0.00524 0.00274 O32 0.02518 0.02936 0.02484 -0.00095 0.00419 0.00183 O4 0.02450 0.02771 0.02787 -0.00119 0.00629 -0.00274 F4 0.02450 0.02771 0.02787 -0.00119 0.00629 -0.00274