data_global
_chemical_name_mineral 'Phlogopite'
loop_
_publ_author_name
'Brigatti M F'
'Medici L'
'Saccani E'
'Vaccaro C'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 913
_journal_page_last 927
_publ_section_title
;
 Crystal chemistry and petrologic significance of Fe3+-rich phlogopite from
 the Tapira carbonatite complex, Brazil
 Sample: Tag15-4
;
_database_code_amcsd 0001812
_chemical_formula_sum 'Si2.76 Al1.2 Fe.73 Ti.12 Mg2.16 Mn.09 K.92 Ba.04 O11.94 F.06 H1.68'
_cell_length_a 5.333
_cell_length_b 9.238
_cell_length_c 10.267
_cell_angle_alpha 90
_cell_angle_beta 99.96
_cell_angle_gamma 90
_cell_volume 498.193
_exptl_crystal_density_diffrn      2.994
_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
Si   0.07550   0.16660   0.22683   0.69000
Al   0.07550   0.16660   0.22683   0.30000
Fe   0.07550   0.16660   0.22683   0.01000
Ti1   0.00000   0.00000   0.50000   0.04000
Fe1   0.00000   0.00000   0.50000   0.23000
Mg1   0.00000   0.00000   0.50000   0.72000
Mn1   0.00000   0.00000   0.50000   0.01000
Ti2   0.00000   0.33340   0.50000   0.04000
Fe2   0.00000   0.33340   0.50000   0.23000
Mg2   0.00000   0.33340   0.50000   0.72000
Mn2   0.00000   0.33340   0.50000   0.04000
K   0.00000   0.50000   0.00000   0.92000
Ba   0.00000   0.50000   0.00000   0.04000
O1   0.01340   0.00000   0.17050   1.00000
O2   0.32850   0.22810   0.17000   1.00000
O3   0.13040   0.16700   0.39140   1.00000
O-H4   0.13140   0.50000   0.39730   0.84000
F4   0.13140   0.50000   0.39730   0.03000
O4   0.13140   0.50000   0.39730   0.13000
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
Si 0.01496 0.01643 0.01502 0.00049 0.00269 -0.00047
Al 0.01496 0.01643 0.01502 0.00049 0.00269 -0.00047
Fe 0.01496 0.01643 0.01502 0.00049 0.00269 -0.00047
Ti1 0.01482 0.01816 0.01969 0.00000 0.00350 0.00000
Fe1 0.01482 0.01816 0.01969 0.00000 0.00350 0.00000
Mg1 0.01482 0.01816 0.01969 0.00000 0.00350 0.00000
Mn1 0.01482 0.01816 0.01969 0.00000 0.00350 0.00000
Ti2 0.01468 0.01946 0.01813 0.00000 0.00242 0.00000
Fe2 0.01468 0.01946 0.01813 0.00000 0.00242 0.00000
Mg2 0.01468 0.01946 0.01813 0.00000 0.00242 0.00000
Mn2 0.01468 0.01946 0.01813 0.00000 0.00242 0.00000
K 0.03578 0.03934 0.02746 0.00000 0.00538 0.00000
Ba 0.03578 0.03934 0.02746 0.00000 0.00538 0.00000
O1 0.03355 0.02724 0.02176 0.00000 0.00161 0.00000
O2 0.02656 0.03502 0.01969 -0.00565 0.00350 -0.00237
O3 0.01733 0.02075 0.01865 -0.00049 0.00323 -0.00047
O-H4 0.01817 0.01859 0.01658 0.00000 0.00296 0.00000
F4 0.01817 0.01859 0.01658 0.00000 0.00296 0.00000
O4 0.01817 0.01859 0.01658 0.00000 0.00296 0.00000