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 C3-29b from peraluminous granites at Northern Victoria Land, Antarctica ; _database_code_amcsd 0002019 _chemical_formula_sum '(K.88 Na.06 Ca.06) Si3.08 Al2.8 Ti.02 Fe.08 Mg.06 H.28 O11.96 F.04' _cell_length_a 5.188 _cell_length_b 8.996 _cell_length_c 20.082 _cell_angle_alpha 90 _cell_angle_beta 95.78 _cell_angle_gamma 90 _cell_volume 932.487 _exptl_crystal_density_diffrn 2.846 _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 0.09898 0.25000 0.88000 Na 0.00000 0.09898 0.25000 0.06000 Ca 0.00000 0.09898 0.25000 0.06000 Si1 0.45140 0.25854 0.13533 0.77000 Al1 0.45140 0.25854 0.13533 0.23000 Si2 0.96530 0.42973 0.13533 0.77000 Al2 0.96530 0.42973 0.13533 0.23000 Ti2 0.24980 0.08332 0.00003 0.01000 Fe2 0.24980 0.08332 0.00003 0.04000 Mg2 0.24980 0.08332 0.00003 0.03000 Al2 0.24980 0.08332 0.00003 0.92000 Al1 0.75000 0.25000 0.00000 0.04000 H 0.87000 0.14500 0.06200 0.14000 O11 0.75130 0.31090 0.15723 1.00000 O21 0.25110 0.37050 0.16872 1.00000 O22 0.41680 0.09330 0.16823 1.00000 O31 0.38380 0.25140 0.05333 1.00000 O32 0.96140 0.44400 0.05332 1.00000 O4 0.95740 0.06170 0.05023 0.98000 F4 0.95740 0.06170 0.05023 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 0.02268 0.02345 0.02184 0.00000 0.00334 0.00000 Na 0.02268 0.02345 0.02184 0.00000 0.00334 0.00000 Ca 0.02268 0.02345 0.02184 0.00000 0.00334 0.00000 Si1 0.00553 0.00738 0.00951 0.00014 0.00125 0.00036 Al1 0.00553 0.00738 0.00951 0.00014 0.00125 0.00036 Si2 0.00594 0.00656 0.00951 0.00024 0.00204 0.00046 Al2 0.00594 0.00656 0.00951 0.00024 0.00204 0.00046 Ti2 0.00580 0.00906 0.01052 0.00000 0.00199 0.00055 Fe2 0.00580 0.00906 0.01052 0.00000 0.00199 0.00055 Mg2 0.00580 0.00906 0.01052 0.00000 0.00199 0.00055 Al2 0.00580 0.00906 0.01052 0.00000 0.00199 0.00055 O11 0.01363 0.02050 0.01679 -0.00423 0.00000 0.00337 O21 0.01296 0.01599 0.01476 0.00376 0.00000 -0.00127 O22 0.01836 0.01230 0.01375 0.00141 0.00418 0.00046 O31 0.01039 0.00943 0.01092 0.00000 0.00157 0.00082 O32 0.00742 0.01230 0.01052 0.00118 0.00209 0.00091 O4 0.00823 0.01230 0.01213 0.00024 0.00366 -0.00155 F4 0.00823 0.01230 0.01213 0.00024 0.00366 -0.00155