data_global _chemical_name_mineral 'Muscovite' loop_ _publ_author_name 'Guggenheim S' 'Chang Y H' 'Koster van Groos A F' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 537 _journal_page_last 550 _publ_section_title ; Muscovite dehydroxylation: High-temperature studies Sample: T = 20 deg C, from Diamond mine, Keystone, South Dakota ; _database_code_amcsd 0001076 _chemical_formula_sum '(K.93 Na.07) Al2.73 Fe.16 Si3.1 O11.83 (F.17 H1.83)' _cell_length_a 5.200 _cell_length_b 9.021 _cell_length_c 20.07 _cell_angle_alpha 90 _cell_angle_beta 95.71 _cell_angle_gamma 90 _cell_volume 936.796 _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 K 0.00000 0.09820 0.25000 0.93000 Na 0.00000 0.09820 0.25000 0.07000 Al 0.25110 0.08360 0.00010 0.91500 Fe 0.25110 0.08360 0.00010 0.08000 AlT1 0.46480 0.92940 0.13565 0.22500 SiT1 0.46480 0.92940 0.13565 0.77500 AlT2 0.45170 0.25840 0.13545 0.22500 SiT2 0.45170 0.25840 0.13545 0.77500 O1 0.41700 0.09260 0.16830 1.00000 O2 0.25100 0.81120 0.15820 1.00000 O3 0.25100 0.37050 0.16900 1.00000 O4 0.45790 0.94380 0.05360 1.00000 O5 0.38580 0.25280 0.05370 1.00000 O-H 0.45650 0.56360 0.05030 0.91500 F 0.45650 0.56360 0.05030 0.08500 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 0.01994 0.02391 0.02000 0.00000 0.00157 0.00000 Na 0.01994 0.02391 0.02000 0.00000 0.00157 0.00000 Al 0.00529 0.00907 0.00950 -0.00236 0.00052 0.00073 Fe 0.00529 0.00907 0.00950 -0.00236 0.00052 0.00073 AlT1 0.00583 0.00742 0.01030 -0.00095 0.00052 0.00082 SiT1 0.00583 0.00742 0.01030 -0.00095 0.00052 0.00082 AlT2 0.00583 0.00866 0.00950 -0.00071 0.00052 -0.00082 SiT2 0.00583 0.00866 0.00950 -0.00071 0.00052 -0.00082 O1 0.01763 0.01196 0.01616 -0.00166 0.00262 -0.00091 O2 0.01628 0.01732 0.02020 -0.00142 0.00000 0.00548 O3 0.01356 0.01732 0.01616 0.00615 0.00105 -0.00091 O4 0.00407 0.01154 0.01616 -0.00071 -0.00052 0.00091 O5 0.00949 0.01443 0.01616 0.00095 0.00157 0.00183 O-H 0.01085 0.01525 0.01010 -0.00260 0.00262 -0.00183 F 0.01085 0.01525 0.01010 -0.00260 0.00262 -0.00183