data_global _chemical_name_mineral 'Muscovite' loop_ _publ_author_name 'Catti M' 'Ferraris G' 'Hull S' 'Pavese A' _journal_name_full 'European Journal of Mineralogy' _journal_volume 6 _journal_year 1994 _journal_page_first 171 _journal_page_last 178 _publ_section_title ; Powder neutron diffraction study of 2M_1 muscovite at room pressure and at 2 GPa Sample: P = 1 bar ; _database_code_amcsd 0006533 _chemical_formula_sum 'K.9 Na.07 Al2.4 Fe.22 Mg.16 Ti.02 Si3.2 O12 H2' _cell_length_a 5.2108 _cell_length_b 9.0399 _cell_length_c 20.021 _cell_angle_alpha 90 _cell_angle_beta 95.76 _cell_angle_gamma 90 _cell_volume 938.330 _exptl_crystal_density_diffrn 2.850 _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 _atom_site_U_iso_or_equiv K 0.00000 0.09490 0.25000 0.90000 0.02660 Na 0.00000 0.09490 0.25000 0.07000 0.02660 Al 0.24890 0.08340 -0.00100 0.80000 0.00773 Fe 0.24890 0.08340 -0.00100 0.11000 0.00773 Mg 0.24890 0.08340 -0.00100 0.08000 0.00773 Ti 0.24890 0.08340 -0.00100 0.01000 0.00773 Si1 0.46360 0.92670 0.13750 0.80000 0.01013 Al1 0.46360 0.92670 0.13750 0.20000 0.01013 Si2 0.45440 0.25860 0.13650 0.80000 0.01520 Al2 0.45440 0.25860 0.13650 0.20000 0.01520 O1 0.42840 0.09340 0.16870 1.00000 0.01520 O2 0.24530 0.81540 0.15800 1.00000 0.01697 O3 0.24750 0.36630 0.16950 1.00000 0.01874 O4 0.46380 0.94190 0.05370 1.00000 0.00874 O5 0.39060 0.25050 0.05350 1.00000 0.01039 O6 0.45390 0.56250 0.05150 1.00000 0.01874 H 0.36420 0.65250 0.05590 1.00000 0.05319 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 H 0.00572 0.01449 0.01206 0.00000 0.00942 0.00182