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 0000386 _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 5.3860 _cell_length_b 9.3241 _cell_length_c 10.2683 _cell_angle_alpha 90 _cell_angle_beta 100.63 _cell_angle_gamma 90 _cell_volume 506.820 _exptl_crystal_density_diffrn 3.250 _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 0.57030 0.16650 0.22460 0.29800 Si 0.57030 0.16650 0.22460 0.70200 Fe1 0.00000 0.50000 0.50000 0.81000 Ti1 0.00000 0.50000 0.50000 0.07000 Mg1 0.00000 0.50000 0.50000 0.04000 Mn1 0.00000 0.50000 0.50000 0.01000 Al1 0.00000 0.50000 0.50000 0.03000 Fe2 0.00000 0.83320 0.50000 0.81000 Ti2 0.00000 0.83320 0.50000 0.07000 Mg2 0.00000 0.83320 0.50000 0.04000 Mn2 0.00000 0.83320 0.50000 0.01000 Al2 0.00000 0.83320 0.50000 0.03000 K 0.00000 0.00000 0.00000 0.88000 Na 0.00000 0.00000 0.00000 0.07000 Ca 0.00000 0.00000 0.00000 0.03000 O1 0.80310 0.24570 0.16700 1.00000 O2 0.54270 0.00000 0.16840 1.00000 O3 0.62910 0.16740 0.38940 1.00000 O4 0.12390 0.00000 0.39310 0.17500 O-H 0.12390 0.00000 0.39310 0.69000 F 0.12390 0.00000 0.39310 0.11000 Cl 0.12390 0.00000 0.39310 0.02500 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 0.00000 0.00595 0.00000 Ti1 0.00994 0.00793 0.02064 0.00000 0.00595 0.00000 Mg1 0.00994 0.00793 0.02064 0.00000 0.00595 0.00000 Mn1 0.00994 0.00793 0.02064 0.00000 0.00595 0.00000 Al1 0.00994 0.00793 0.02064 0.00000 0.00595 0.00000 Fe2 0.00866 0.01233 0.02012 0.00000 0.00379 0.00000 Ti2 0.00866 0.01233 0.02012 0.00000 0.00379 0.00000 Mg2 0.00866 0.01233 0.02012 0.00000 0.00379 0.00000 Mn2 0.00866 0.01233 0.02012 0.00000 0.00379 0.00000 Al2 0.00866 0.01233 0.02012 0.00000 0.00379 0.00000 K 0.03932 0.04404 0.05985 0.00000 0.00379 0.00000 Na 0.03932 0.04404 0.08565 0.00000 0.00379 0.00000 Ca 0.03932 0.04404 0.08565 0.00000 0.00379 0.00000 O1 0.01987 0.03083 0.02580 -0.00700 0.00677 -0.00048 O2 0.03024 0.01762 0.02838 0.00000 0.00595 0.00000 O3 0.01547 0.01542 0.02064 -0.00100 0.00460 -0.00048 O4 0.01959 0.01630 0.02064 0.00000 0.00460 0.00000 O-H 0.01959 0.01630 0.02064 0.00000 0.00460 0.00000 F 0.01959 0.01630 0.02064 0.00000 0.00460 0.00000 Cl 0.01959 0.01630 0.02064 0.00000 0.00460 0.00000