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: Tae23-1a
;
_database_code_amcsd 0001815
_chemical_formula_sum 'Si2.84 Al1.04 Fe.36 Ti1.87 Mg.89 (K.93 Ba.02 Na.05) O12 H1.82'
_cell_length_a 5.321
_cell_length_b 9.211
_cell_length_c 10.287
_cell_angle_alpha 90
_cell_angle_beta 99.93
_cell_angle_gamma 90
_cell_volume 496.631
_exptl_crystal_density_diffrn      3.164
_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   0.07600   0.16675   0.22819   0.71000
Al   0.07600   0.16675   0.22819   0.26000
Fe   0.07600   0.16675   0.22819   0.03000
Ti1   0.00000   0.00000   0.50000   0.03000
Fe1   0.00000   0.00000   0.50000   0.08000
Mg1   0.00000   0.00000   0.50000   0.89000
Ti2   0.00000   0.33200   0.50000   0.03000
Fe2   0.00000   0.33200   0.50000   0.08000
Ti2   0.00000   0.33200   0.50000   0.89000
K   0.00000   0.50000   0.00000   0.93000
Ba   0.00000   0.50000   0.00000   0.02000
Na   0.00000   0.50000   0.00000   0.05000
O1   0.01080   0.00000   0.17040   1.00000
O2   0.32960   0.22760   0.17040   1.00000
O3   0.13020   0.16660   0.39120   1.00000
O-H4   0.13200   0.50000   0.39770   0.91000
O4   0.13200   0.50000   0.39770   0.09000
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 0.01433 0.01762 0.01300 -0.00049 0.00377 -0.00047
Al 0.01433 0.01762 0.01300 -0.00049 0.00377 -0.00047
Fe 0.01433 0.01762 0.01300 -0.00049 0.00377 -0.00047
Ti1 0.01573 0.01934 0.01717 0.00000 0.00404 0.00000
Fe1 0.01573 0.01934 0.01717 0.00000 0.00404 0.00000
Mg1 0.01573 0.01934 0.01717 0.00000 0.00404 0.00000
Ti2 0.01573 0.01891 0.01560 0.00000 0.00350 0.00000
Fe2 0.01573 0.01891 0.01560 0.00000 0.00350 0.00000
Ti2 0.01573 0.01891 0.01560 0.00000 0.00350 0.00000
K 0.03966 0.04341 0.02289 0.00000 0.00457 0.00000
Ba 0.03966 0.04341 0.02289 0.00000 0.00457 0.00000
Na 0.03966 0.04341 0.02289 0.00000 0.00457 0.00000
O1 0.03201 0.02407 0.01769 0.00000 0.00081 0.00000
O2 0.02728 0.03353 0.01665 -0.00514 0.00592 -0.00284
O3 0.01628 0.01977 0.01560 0.00073 0.00323 -0.00047
O-H4 0.01600 0.02020 0.01769 0.00000 0.00430 0.00000
O4 0.01600 0.02020 0.01769 0.00000 0.00430 0.00000