data_global _chemical_name_mineral 'Muscovite-2M1' loop_ _publ_author_name 'Rothbauer R' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1971 _journal_year 1971 _journal_page_first 143 _journal_page_last 154 _publ_section_title ; Untersuchung eines 2M1-muskovits mit neutronenstrahlen ; _database_code_amcsd 0014740 _chemical_compound_source 'Diamond mine, Black Hills, South Dakota, USA' _chemical_formula_sum 'K Al2.87 Fe.13 Si3 H2 O12' _cell_length_a 5.19182 _cell_length_b 9.01535 _cell_length_c 20.04577 _cell_angle_alpha 90 _cell_angle_beta 95.7353 _cell_angle_gamma 90 _cell_volume 933.567 _exptl_crystal_density_diffrn 2.861 _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 0.09800 0.25000 1.00000 Al 0.25020 0.08350 0.00008 0.93500 Fe 0.25020 0.08350 0.00008 0.06500 SiT1 0.46460 0.92910 0.13553 0.75000 AlT1 0.46460 0.92910 0.13553 0.25000 SiT2 0.45160 0.25810 0.13559 0.75000 AlT2 0.45160 0.25810 0.13559 0.25000 H 0.37270 0.64990 0.05990 1.00000 O1 0.41670 0.09270 0.16829 1.00000 O2 0.25050 0.81070 0.15783 1.00000 O3 0.25020 0.37030 0.16869 1.00000 O4 0.46100 0.94320 0.05343 1.00000 O5 0.38590 0.25150 0.05348 1.00000 O6 0.45660 0.56270 0.05018 1.00000 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 0.02582 0.02182 0.02338 0.00000 0.00261 0.00000 Al 0.00662 0.00700 0.00504 -0.00024 0.00157 0.00109 Fe 0.00662 0.00700 0.00504 -0.00024 0.00157 0.00109 SiT1 0.00649 0.00576 0.00867 -0.00047 0.00000 -0.00036 AlT1 0.00649 0.00576 0.00867 -0.00047 0.00000 -0.00036 SiT2 0.00662 0.00576 0.00907 0.00071 0.00157 0.00109 AlT2 0.00662 0.00576 0.00907 0.00071 0.00157 0.00109 H 0.02704 0.02718 0.07054 -0.00283 0.01879 -0.02095 O1 0.02028 0.00906 0.01250 0.00142 0.00418 0.00055 O2 0.01176 0.01894 0.01512 -0.00401 0.00052 0.00392 O3 0.01271 0.01606 0.01108 0.00448 0.00104 -0.00046 O4 0.00933 0.01029 0.00766 0.00047 0.00157 0.00064 O5 0.01109 0.00906 0.00806 0.00024 0.00104 0.00073 O6 0.01298 0.01359 0.01028 -0.00212 0.00209 -0.00282