data_global _chemical_name_mineral 'Annite' loop_ _publ_author_name 'Hazen R M' 'Burnham C W' _journal_name_full 'American Mineralogist' _journal_volume 58 _journal_year 1973 _journal_page_first 889 _journal_page_last 900 _publ_section_title ; The crystal structures of one-layer phlogopite and annite ; _database_code_amcsd 386 _chemical_formula_sum 'Al1.282 Si2.808 Fe2.43 Ti.21 Mg.12 Mn.03 K.88 Na.07 Ca.03 O11.73 F.22 Cl.05 H1.38' _cell_length_a 5.386 _cell_length_b 9.3241 _cell_length_c 10.2683 _cell_angle_alpha 90.0 _cell_angle_beta 100.63 _cell_angle_gamma 90.0 _cell_volume 506.82 _exptl_crystal_density_diffrn 3.25 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-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 Al 0.5703 0.1665 0.2246 0.298 Si 0.5703 0.1665 0.2246 0.702 Fe1 0.0 0.5 0.5 0.81 Ti1 0.0 0.5 0.5 0.07 Mg1 0.0 0.5 0.5 0.04 Mn1 0.0 0.5 0.5 0.01 Al1 0.0 0.5 0.5 0.03 Fe2 0.0 0.8332 0.5 0.81 Ti2 0.0 0.8332 0.5 0.07 Mg2 0.0 0.8332 0.5 0.04 Mn2 0.0 0.8332 0.5 0.01 Al2 0.0 0.8332 0.5 0.03 K 0.0 0.0 0.0 0.88 Na 0.0 0.0 0.0 0.07 Ca 0.0 0.0 0.0 0.03 O1 0.8031 0.2457 0.167 1.0 O2 0.5427 0.0 0.1684 1.0 O3 0.6291 0.1674 0.3894 1.0 O4 0.1239 0.0 0.3931 0.175 O-H 0.1239 0.0 0.3931 0.69 F 0.1239 0.0 0.3931 0.11 Cl 0.1239 0.0 0.3931 0.025 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 Al 0.01065 0.01057 0.01858 -0.00025 0.00433 -0.00048 Si 0.01065 0.01057 0.01858 -0.00025 0.00433 -0.00048 Fe1 0.00994 0.00793 0.02064 0.0 0.00595 0.0 Ti1 0.00994 0.00793 0.02064 0.0 0.00595 0.0 Mg1 0.00994 0.00793 0.02064 0.0 0.00595 0.0 Mn1 0.00994 0.00793 0.02064 0.0 0.00595 0.0 Al1 0.00994 0.00793 0.02064 0.0 0.00595 0.0 Fe2 0.00866 0.01233 0.02012 0.0 0.00379 0.0 Ti2 0.00866 0.01233 0.02012 0.0 0.00379 0.0 Mg2 0.00866 0.01233 0.02012 0.0 0.00379 0.0 Mn2 0.00866 0.01233 0.02012 0.0 0.00379 0.0 Al2 0.00866 0.01233 0.02012 0.0 0.00379 0.0 K 0.03932 0.04404 0.05985 0.0 0.00379 0.0 Na 0.03932 0.04404 0.08565 0.0 0.00379 0.0 Ca 0.03932 0.04404 0.08565 0.0 0.00379 0.0 O1 0.01987 0.03083 0.0258 -0.007 0.00677 -0.00048 O2 0.03024 0.01762 0.02838 0.0 0.00595 0.0 O3 0.01547 0.01542 0.02064 -0.001 0.0046 -0.00048 O4 0.01959 0.0163 0.02064 0.0 0.0046 0.0 O-H 0.01959 0.0163 0.02064 0.0 0.0046 0.0 F 0.01959 0.0163 0.02064 0.0 0.0046 0.0 Cl 0.01959 0.0163 0.02064 0.0 0.0046 0.0