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